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OHNO Kaoru  大野 かおる

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Ohno Kaoru  大野 かおる

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Researcher Number 40185343
Other IDs
External Links
Affiliation (Current) 2022: 横浜国立大学, 大学院工学研究院, 名誉教授
Affiliation (based on the past Project Information) *help 2021 – 2022: 横浜国立大学, 大学院工学研究院, 名誉教授
2017 – 2020: 横浜国立大学, 大学院工学研究院, 教授
2015: 横浜国立大学, 工学研究院, 教授
2014 – 2015: 横浜国立大学, 工学(系)研究科(研究院), 教授
2009 – 2013: Yokohama National University, 工学研究院, 教授 … More
2012: 横浜国立大学, 大学院・工学研究院, 教授
2011: 横浜国立大学, 工学(系)研究科(研究院), 教授
2007 – 2009: Yokohama National University, Graduate School of Engineering, Department of Physics, Professor
2006: 横浜国立大学, 大学院工学研究院, 教授
2005: 横浜国立大学, 大学院・工学研究院, 教授
2004: National University Corporation Yokohama National University, Graduate School of Engineering, Professor, 大学院・工学研究院, 教授
2001 – 2003: 横浜国立大学, 大学院・工学研究院, 教授
2000: Yokohama National University, Faculty of Engineering, Professor, 工学部, 教授
1998 – 1999: 東北大学, 金属材料研究所, 助教授
1991 – 1996: 東北大学, 金属材料研究所, 助教授 Less
Review Section/Research Field
Principal Investigator
Science and Engineering / Physical properties of metals / Basic Section 32010:Fundamental physical chemistry-related / Atomic/Molecular/Quantum electronics / Condensed matter physics II / Physical properties of metals/Metal-base materials / 物性一般(含基礎論) / Nanomaterials/Nanobioscience
Except Principal Investigator
物性一般(含基礎論) / Nanomaterials/Nanobioscience … More / Thin film/Surface and interfacial physical properties / Nanomaterials chemistry / Physical properties of metals / Condensed matter physics I / Inorganic chemistry / Materials engineering and related fields Less
Keywords
Principal Investigator
GW近似 / 第一原理計算 / 全電子混合基底法 / 電子励起状態 / 時間依存密度汎関数理論 / フラーレン / 内包フラーレン / モンテカルロシミュレーション / T-matrix理論 / オンサイトクーロンエネルギー … More / 光捕集機能 / 結晶成長 / 核形成 / フラクタル次元 / 臨界指数 / 第一原理分子動力学法 / Bethe-Salpeter方程式 / 分子設計支援システム / 繰り込みポテンシャル / 分子動力学法 / 格子気体模型 / 分配関数 / 規則不規則変態 / 相転移 / クーロン孔 / 励起状態 / 多体摂動論 / グリーン関数 / プログラム開発 / 自己無撞着GW近似 / 全エネルギー / ハイブリッド並列 / 準粒子理論 / クラスタ-・クラスタ-凝集 / マイクロクラスタ- / 拡散律速凝集(DLA) / シミュレ-ション / クラスター・クラスター凝集 / クラスター / 拡散律速凝集 / シミュレーション / 光吸収スペクトル / クラスター変分法 / ポテンシャルマッピング / 時間依存シュレディンガー方程式 / 原子 / 分子 / 分子素子 / 光捕集デンドリマー / GW + T-matrix計算 / フタロシアニン / 光電気エネルギー変換 / ナノチューブ / 電子励起化学反応 / GW+T-matrix計算 / 光触媒 / 強相関系 / 計算物理 / GWΓ法 / バーテックス補正 / 準粒子スペクトル / 原子・分子・クラスター / FORTRAN90 / Li2クラスター / 全電子混合規定法 / プログラム公開 / 自己無撞着GWΓ法 / 高分子溶液 / 高分子ネットワーク / 星型高分子 / スケーリング理論 / 枝分かれ高分子 / モンテカルロ・シミュレーション / ミセル / ABブロック・コポリマー / ラウス模型 / polymer solution / polymer network / star polymer / scaling theory / Monte Carlo simulation / 半屈曲性高分子溶液 / 半屈曲高分子溶液 / 半屈曲性高分子鎖溶液 / Renormalized Potential / Molecular Dynamics Method / Monte Carlo Simulation / Lattice Gas Model / Partition Function / Order-Disorder Transition / Phase Transition / Semi-Flexible Polymer Solution / ダブルイオン化エネルギー / 化学反応ダイナミクス / 電子励起 / 2電子波動関数 / first principles calculation / GW approximation / T-matrix theory / double ionization energy / endohedral fullerene / time-dependent density functional theory / chemical reaction dynamics / electronic excitation / プログラム / XPS / 光吸収エネルギー / 第一原理計算プログラム / Green関数 / 密度汎関数理論 … More
Except Principal Investigator
フラーレン / 電子状態 / 振動状態 / TTTA / マイクロクラスター / バンド計算 / 局所密度近似 / 第一原理 / ナノバイオ / 表面・界面物性 / 光物性 / 有機ラジカル / 第一原理計算 / 2光子吸収 / Organic Radical / Photoinduced Phase Transition / 分子動力学 / 分子性結晶 / 炭素クラスター / 電子構造 / 混合基底法 / 第一原理分子動力学法 / 構造安定性 / 分子内振動 / 全ポテンシャル / 内包フラーレン / サイエンティフィック・ビジュアリゼーション / タイトバインディング法 / シミュレーテッドアニーリング / 安定性 / 振動スペクトル / 表面の再構成 / IR吸収スペクトル / 凝集エネルギー / フェムト秒 / イメージング / ポンプ・プローブ分光 / デンドリマー / タンパク / 機能性分子 / 光制御 / 超薄膜 / マイクロ・ナノデバイス / 超分子化学 / ナノ材料 / 表面・界面 / 磁気モーメント / 金属 / メトカー / 成長メカニズム / 魔法数 / microcluster / electronic states / vibrational states / first principle / magnetic moment / 巨大分子 / 分子間相互作用 / 状態方程式 / 配向相転移 / 計算機シミュレーション / モンテ・カルロ法 / C_<60> / 固相-液相転移 / 気相-液相転移 / 計算機実験 / 液相-固相転移 / モンテカルロシミュレーション / Fulleren / Large Molecule / Intermolecular Potential / Equation of State / Orientational Phase Transition / Computer Simulation / Monte Carlo Method / 光誘起相転移 / モット絶縁体 / 常磁性・反磁性磁気相転移 / 2光子励起 / 常磁性反磁性磁気相転移 / ラマン散乱 / 赤外吸収 / Mott Insulator / Magnetic Phase Transition / Two-Photon Excitation / First Principle Calculation / 強相関物質 / 光誘起磁気相転移 / 非線形 / 磁気秩序制御 / マイクロマシン / Two-Photon Absorption / Optical Nonlinearity / Magnetic Control / Micro-Machine / 半減期 / 軌道電子捕獲崩壊 / ベリリウム / 真空 / 半減期変化 / 比較自動測定 / Half-life / Electron capture decay / Fullerene / Beryllium / Vacuum / 耐熱合金 / 自由エネルギー計算 / 繰り込み / ニッケル / ポテンシャル繰り込み / 格子モデル / 微細組織制御 / フェーズフィールドモデル / 熱力学的特性 / 等温析出曲線図 / 組織自由エネルギー法 Less
  • Research Projects

    (29 results)
  • Research Products

    (629 results)
  • Co-Researchers

    (42 People)
  •  任意の電子励起固有状態に適用可能な密度汎関数理論の提案とソフトの開発・普及Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      2021 – 2025
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Yokohama National University
  •  Development of a unified and accurate first-principles method to calculate electronic excited states and dynamics for isolated and crystal systemsPrincipal Investigator

    • Principal Investigator
      Ohno Kaoru
    • Project Period (FY)
      2018 – 2020
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Yokohama National University
  •  Theoretical design of superalloys by a quantitative modelling based on first principles calculations

    • Principal Investigator
      SAHARA RYOJI
    • Project Period (FY)
      2017 – 2019
    • Research Category
      Grant-in-Aid for Challenging Research (Exploratory)
    • Research Field
      Materials engineering and related fields
    • Research Institution
      National Institute for Materials Science
  •  グリーン関数法に基づく電子励起ダイナミックス計算コードの開発Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      2013 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Yokohama National University
  •  Dynamics of the functions of biomolecular arrangements controlled by the potential at solid-liquid interfaces

    • Principal Investigator
      Tanaka Masatoshi
    • Project Period (FY)
      2013 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanomaterials chemistry
    • Research Institution
      Yokohama National University
  •  Developement and Open source code of all-electron mixed basis package programPrincipal Investigator

    • Principal Investigator
      Ohno Kaoru
    • Project Period (FY)
      2013 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      Yokohama National University
  •  Development of all-electron first-principles GWΓ code for highly correlated systemsPrincipal Investigator

    • Principal Investigator
      OHNO Kaoru
    • Project Period (FY)
      2011 – 2012
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Condensed matter physics II
    • Research Institution
      Yokohama National University
  •  Design and development of a new functional molecular device by means of a state-of-the-art computat i ona l techniquePrincipal Investigator

    • Principal Investigator
      OHNO KAORU
    • Project Period (FY)
      2009 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Atomic/Molecular/Quantum electronics
    • Research Institution
      Yokohama National University
  •  Measurement and control of charge transfer between organic ultrathin layers and substrates by means of in-situ real-time spectroscopy

    • Principal Investigator
      TANAKA Masatoshi
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Thin film/Surface and interfacial physical properties
    • Research Institution
      Yokohama National University
  •  Real-Time Imaging and Optical Control of Ultrafast Transient Processes in Nao- and Bio-Related Materials with Extremely Small Quantities

    • Principal Investigator
      TAKEDA Jun
    • Project Period (FY)
      2008 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      Yokohama National University
  •  新しい第一原理計算手法の開発と第一原理計算の発展に寄与する3つの研究Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      2007 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Yokohama National University
  •  新しい第一原理計算手法の開発と第一原理計算の発展に寄与する3つの研究Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      2006
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Yokohama National University
  •  Development and Application of a Simulation System for Nano- and Micro-Materials DesignPrincipal Investigator

    • Principal Investigator
      OHNO Kaoru
    • Project Period (FY)
      2005 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      Yokohama National University
  •  Control of Magnetic Properties in Nano- and Micro-scales with Large Optical Nonlinearity: a New Approach for Development of Functional Micromachines

    • Principal Investigator
      TAKEDA Jun
    • Project Period (FY)
      2005 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      Yokohama National University
  •  The precise measurement of electron capture decay rate of ^7Be encapsulated in C_<60>

    • Principal Investigator
      OHTSUKI Tsutomu
    • Project Period (FY)
      2005 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Inorganic chemistry
    • Research Institution
      Tohoku University
  •  Study of Photoinduced Phase Transition in an Organic Radical Crystal with Strong Correlated Electronic System

    • Principal Investigator
      TAKEDA Jun
    • Project Period (FY)
      2003 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Condensed matter physics I
    • Research Institution
      National University Corporation Yokohama National University
  •  Potential Renormalization Theory Mapping Interatomic Forces onto Lattice ModelsPrincipal Investigator

    • Principal Investigator
      OHNO Kaoru
    • Project Period (FY)
      2001 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical properties of metals
    • Research Institution
      Yokohama National University
  •  全電子混合基底第一原理分子動力学法による分子設計・物質設計Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      2000 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      Yokohama National University
  •  全電子混合基底第一原理分子動力学法による分子設計・物質設計Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      Tohoku University
  •  分子動力学ポテンシャルの格子気体モデルへの繰り込み理論Principal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      1999 – 2000
    • Research Category
      Grant-in-Aid for Exploratory Research
    • Research Field
      Physical properties of metals
    • Research Institution
      Yokohama National University
      Tohoku University
  •  Structure and Phase Transition in Systems of Large Molecules

    • Principal Investigator
      HASEGAWA Masayuki
    • Project Period (FY)
      1998 – 2000
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      物性一般(含基礎論)
    • Research Institution
      Iwate University
  •  比直交基底タイトバインディング分子動力学法の開発とフラーレン構造体への応用

    • Principal Investigator
      ESFARJANI Keivan
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      物性一般(含基礎論)
    • Research Institution
      Tohoku University
  •  炭素マイクロクラスターの電子状態・振動状態に関する第一原理的研究

    • Principal Investigator
      川添 良幸
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Tohoku University
  •  炭素マイクロクラスターの電子状態・振動状態に関する第一原理的研究

    • Principal Investigator
      川添 良幸
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Tohoku University
  •  炭素・マイクロクラスターの電子状態・振動状態に関する第一原理的研究

    • Principal Investigator
      KAWAZOE Yoshiyuki
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Tohoku University
  •  Ab-initio study of electronic and vibrational states of metal microclusters

    • Principal Investigator
      KAWAZOE Yoshiyuki
    • Project Period (FY)
      1993 – 1994
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      Physical properties of metals
    • Research Institution
      Tohoku Univ.
  •  Scaling Theory of Blanched Polymers in SolutionPrincipal Investigator

    • Principal Investigator
      OHNO Kaoru
    • Project Period (FY)
      1993 – 1994
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      物性一般(含基礎論)
    • Research Institution
      Institute for Materials Research, Tohoku Univ.
  •  急冷液体相中の結晶核形成・成長に関するコンピューターシミュレーションPrincipal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Tohoku University
  •  急冷液体相中の結晶核形成・成長に関するコンピュ-タ-シミュレ-ションPrincipal Investigator

    • Principal Investigator
      大野 かおる
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Tohoku University

All 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Book

  • [Book] 計算ナノ科学2019

    • Author(s)
      大野かおる、中村 振一郎、水関 博志、佐原 亮二
    • Total Pages
      272
    • Publisher
      近代科学社
    • ISBN
      9784764950306
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Book] 計算ナノ科学 第一原理計算の基礎と高機能ナノ材料への適用2019

    • Author(s)
      大野かおる、中村振一郎、水関 博志、佐原 亮二
    • Total Pages
      272
    • Publisher
      近代科学社
    • ISBN
      9784764950306
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Book] Computational Materials Science: From Ab Initio to Monte Carlo Methods, 2nd Edition2018

    • Author(s)
      Kaoru Ohno, Keivan Esfarjani, and Yoshiyuki Kawazoe
    • Total Pages
      427
    • Publisher
      Springer-Verlag
    • ISBN
      9783662565407
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Book] 水素利用技術集成Vol. 4(「全電子混合基底法プログラムを用いた水素貯蔵材料設計」の章)2014

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Total Pages
      300
    • Publisher
      エヌ・ティー・エス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Book] 水素利用技術集成Vol. 4(「全電子混合基底法プログラムを用いた水素貯蔵材料設計」の章)2014

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Total Pages
      300
    • Publisher
      エヌ・ティー・エス
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Book] 水素利用技術集成Vol. 42014

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Total Pages
      300
    • Publisher
      エヌ・ティー・エス
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Book] 水素利用技術集成Vol. 42014

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Total Pages
      300
    • Publisher
      エヌ・ティー・エス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Book] 密度汎関数法の発展ーマテリアルデザインへの応用2012

    • Author(s)
      大野かおる、他18名
    • Publisher
      丸善
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Book] 岩波講座「計算科学」第3巻『計算と物質』第6章「光励起と物質応答の量子論」2012

    • Author(s)
      押山淳、天能精一郎、杉野修、大野かおる、今田正俊、高田康民
    • Publisher
      岩波書店
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Book] 岩波講座「計算科学」第3巻『計算と物質』第6章「光励起と物質応答の量子論」2012

    • Author(s)
      押山淳、天能精一郎、杉野修、大野かおる、今田正俊、高田康民
    • Publisher
      岩波書店
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Book] 密度汎関数法の発展ーマテリアルデザインへの応用2012

    • Author(s)
      大野かおる、他18名
    • Publisher
      赤井久純、白井光雲編
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Book] Nano-and Micromaterials2008

    • Author(s)
      K. Ohno, M. Tanaka, J. Takeda, Y. Kawazoe
    • Publisher
      Springer-Verlag
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310068
  • [Book] "Nano-and Micromaterials", Series on Advances in Materials Reseaxch, Vol.92007

    • Author(s)
      K. Ohno
    • Total Pages
      337
    • Publisher
      Springer Verlag
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Book] Nano-and Micromaterials, Series on Advances in Materials Research, Vol. 92007

    • Author(s)
      K. Ohno
    • Total Pages
      337
    • Publisher
      Springer Verlag
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Book] "Nano-and Micromaterials", Series on Advances in Materials Research, Vol. 92007

    • Author(s)
      K. Ohno, M. Tanaka, J. Takeda, and Y. Kawazoe(編)
    • Total Pages
      337
    • Publisher
      Springer Verlag
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Book] ナノシミュレーション技術ハンドブック2006

    • Author(s)
      川添良幸, 池庄司民夫, 香山正憲, 大野かおる, 三上益弘, 他
    • Total Pages
      484
    • Publisher
      共立出版
    • Data Source
      KAKENHI-PROJECT-18036005
  • [Book] ナノシミュレーション技術ハンドブック2006

    • Author(s)
      川添良幸, 池庄司民夫, 香山正憲, 大野かおる, 三上益弘, 他
    • Total Pages
      484
    • Publisher
      共立出版
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Book] ナノシミュレーション技術ハンドブック2006

    • Author(s)
      川添良幸、池庄司民夫、香山正憲、大野かおる、三上益弘、他
    • Total Pages
      484
    • Publisher
      共立出版
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Book] "Nano-and Micromaterials", Advances in Materials Research 9

    • Author(s)
      K. Ohno
    • Total Pages
      337
    • Publisher
      Springer-Verlag
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17310068
  • [Journal Article] Electronic and magnetic properties of carbide MXenes2021

    • Author(s)
      Soungmin Bae, Yoon-Gu Kang, Mohammad Khazaei, Kaoru Ohno, Yong-Hoon Kim, Myung-Joon Han, Kee Joo Chang, and Hannes Raebiger
    • Journal Title

      Materials Today Advances

      Volume: 9

    • DOI

      10.1016/j.mtadv.2020.100118

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Study on Ni-Ti alloys around equiatomic composition by the first-principles phase field method2021

    • Author(s)
      Kaoru Ohno, Monami Tsuchiya, Riichi Kuwahara, Ryoji Sahara, Swastibrata Bhattacharyya, and Thi Nu Pham
    • Journal Title

      Comp. Mat. Sci.

      Volume: 191

    • DOI

      10.1016/j.commatsci.2021.110284

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Photo-energy Conversion Efficiency of CH3NH3PbI3/C60 Heterojunction Perovskite Solar Cells from First-principles2021

    • Author(s)
      Khian-Hooi Chew, Riichi Kuwahara, and Kaoru Ohno
    • Journal Title

      Mat. Adv.

      Volume: 2 Pages: 1665-1675

    • DOI

      10.1039/d0ma00853b

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Electron-beam irradiation of photopolymerized C60 film studied using in situ scanning tunneling microscope, in situ Fourier-transform infrared spectroscopy, and first-principles calculations2020

    • Author(s)
      Jun Onoe, Masato Nakaya, Shinta Watanabe, Tomonobu Nakayama, Kaoru Ohno, and Yusuke Noda
    • Journal Title

      AIP Advances

      Volume: 10 Pages: 085212-085212

    • DOI

      10.1063/5.0018985

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18H01939, KAKENHI-PROJECT-20H02463, KAKENHI-PROJECT-19K22049
  • [Journal Article] Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study2020

    • Author(s)
      Jiaqi Zhou, Mohammad Khazaei, Ahmad Ranjbar, V. Wang, Thomas D. Khuene, Kaoru Ohno, Yoshiyuki Kawazoe, and Yunye Liang
    • Journal Title

      J. Mat. Chem. C

      Volume: 8 Pages: 5211-5221

    • DOI

      10.1039/c9tc06837f

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Clear evidence for element partitioning effects in a Ti-6Al-4V alloy by the first-principles phase field method2020

    • Author(s)
      Pham Thi Nu、Ohno Kaoru、Sahara Ryoji、Kuwahara Riichi、Bhattacharyya Swastibrata
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 32

    • DOI

      10.1088/1361-648x/ab7ad5

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Spin‐Orbit Coupling in All‐Electron Mixed Basis Approach2019

    • Author(s)
      Nakashima Takeru、Ohno Kaoru
    • Journal Title

      Annalen der Physik

      Volume: 531

    • DOI

      10.1002/andp.201900060

    • NAID

      120006714788

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] First principles calculations of surface dependent electronic structures: a study on β-FeOOH and γ-FeOOH2019

    • Author(s)
      Sakamoto Yuki、Noda Yusuke、Ohno Kaoru、Koike Kayo、Fujii Katsushi、Suzuki Tomiko M.、Morikawa Takeshi、Nakamura Shinichiro
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 21 Pages: 18486-18494

    • DOI

      10.1039/c9cp00157c

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter2019

    • Author(s)
      Bhattacharyya Swastibrata、Sahara Ryoji、Ohno Kaoru
    • Journal Title

      Nature Communications

      Volume: 10

    • DOI

      10.1038/s41467-019-11248-z

    • NAID

      120006714793

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Ab initio simulations of x-ray emission spectroscopy with the GW+Bethe-Salpeter equation method2019

    • Author(s)
      Aoki Tsubasa、Ohno Kaoru
    • Journal Title

      Physical Review B

      Volume: 100

    • DOI

      10.1103/physrevb.100.075149

    • NAID

      120006714792

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Implementation of hyperfine coupling in all-electron mixed basis approach2019

    • Author(s)
      Terada Hiroyuki、Kanno Shota、Ohno Kaoru
    • Journal Title

      Journal of Physics B: Atomic, Molecular and Optical Physics

      Volume: 52

    • DOI

      10.1088/1361-6455/ab2ab3

    • NAID

      120006714786

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Mass production of low-boiling point solvent- and water-soluble graphene by simple salt-assisted ball milling2019

    • Author(s)
      Arao Yoshihiko、Kuwahara Riichi、Ohno Kaoru、Tanks Jonathon、Aida Kojiro、Kubouchi Masatoshi、Takeda Shin-ichi
    • Journal Title

      Nanoscale Advance

      Volume: 1 Pages: 4955-4964

    • DOI

      10.1039/c9na00463g

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939, KAKENHI-PROJECT-19H02021
  • [Journal Article] Accurate quasiparticle calculation of X-ray photoelectron spectra of solids2018

    • Author(s)
      Tsubasa Aoki and Kaoru Ohno
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 30

    • DOI

      10.1088/1361-648x/aabdfe

    • NAID

      120006501250

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] GW(Γ) methods without the Bethe-Salpeter equation for photoabsorption energies of spin-polarized systems2018

    • Author(s)
      Tomoharu Isobe, Riichi Kuwahara, and Kaoru Ohno
    • Journal Title

      Physical Review A

      Volume: 97

    • DOI

      10.1103/physreva.97.060502

    • NAID

      120006714787

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Journal Article] Tomonaga- Luttinger liquid theory for metallic fullerene polymers2016

    • Author(s)
      Hideo Yoshioka, Hiroyuki Shima, Yusuke Noda, Shota Ono, Kaoru Ohno
    • Journal Title

      Phys. Rev. B

      Volume: 93 Pages: 165431-165431

    • DOI

      10.1103/physrevb.93.165431

    • NAID

      130006244293

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K04619, KAKENHI-PROJECT-25400370, KAKENHI-PROJECT-25289218, KAKENHI-PROJECT-25390147
  • [Journal Article] Minimal model for charge transfer excitons at the dielectric interface2016

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Journal Title

      Phys. Rev. B (Rapid Communications)

      Volume: 93

    • DOI

      10.1103/physrevb.93.121301

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K17435, KAKENHI-PROJECT-25289218
  • [Journal Article] Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol2016

    • Author(s)
      Thi Nu Pham, Shota Ono, and Kaoru Ohno
    • Journal Title

      J. Chem. Phys.

      Volume: 144

    • DOI

      10.1063/1.4945628

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K17435, KAKENHI-PROJECT-25289218
  • [Journal Article] All-electron mixed basis GW calculations of TiO2 and ZnO crystals2016

    • Author(s)
      Ming Zhang, Shota Ono, Naoki Nagatsuka, and Kaoru Ohno
    • Journal Title

      Phys. Rev. B

      Volume: 93

    • DOI

      10.1103/physrevb.93.155116

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K17435, KAKENHI-PROJECT-25289218
  • [Journal Article] Momentum-dependent band splitting in semiconducting MnO2: A density functional calculation2016

    • Author(s)
      Yusuke Noda, Kaoru Ohno, and Shinichiro Nakamura
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 未定

    • DOI

      10.1039/c5cp07806g

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] Growth of Graphene Nanocoil in a SiC Container: a Molecular Dynamics Study2016

    • Author(s)
      Swastibrata Battacharyya, Shotaro Otake, Shota Ono, Riichi Kuwahara, and Kaoru Ohno
    • Journal Title

      Advances in Materials Physics and Chemistry

      Volume: 未定

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] All-electron GW calculation of rutile TiO2 with and without Nb impurities2015

    • Author(s)
      Ming Zhang, Shota Ono, and Kaoru Ohno
    • Journal Title

      Phys. Rev. B

      Volume: 92

    • DOI

      10.1103/physrevb.92.035205

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] Capped carbon nanotube photovoltaic cells: Influence of distribution of the five-membered rings on the efficiency2015

    • Author(s)
      Shota Ono, Kousei Tanikawa, Riichi Kuwahara, and Kaoru Ohno
    • Journal Title

      Diamond & Related Materials

      Volume: 58 Pages: 24-30

    • DOI

      10.1016/j.diamond.2015.05.008

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] Geometry Dependence of Electronic and Energetic Properties of One-Dimensional Peanut-Shaped Fullerene Polymers2015

    • Author(s)
      Yusuke Noda, Shota Ono, and Kaoru Ohno
    • Journal Title

      J. Phys. Chem. A

      Volume: 119 Pages: 3048-3055

    • DOI

      10.1021/jp512451u

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-14J00217, KAKENHI-PROJECT-25289218
  • [Journal Article] TOMBO: all-electron mixed basis approach to condensed matter physics2015

    • Author(s)
      Shota Ono, Yoshifumi Noguchi, Ryoji Sahara, Yoshiyuki Kawazoe, and Kaoru Ohno
    • Journal Title

      Compt. Phys. Comm.

      Volume: 189 Pages: 20-30

    • DOI

      10.1016/j.cpc.2014.11.012

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218, KAKENHI-PROJECT-26400383
  • [Journal Article] Sexithiophene ultrathin films on passivated Si(001) surfaces: growth and electronic structure2015

    • Author(s)
      S. Ohno, H. Tanaka, K. Tanaka, K. Takahashi, M. Tanaka
    • Journal Title

      Organic Electronics

      Volume: 25 Pages: 170-177

    • DOI

      10.1016/j.orgel.2015.05.047

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25390127, KAKENHI-PROJECT-25286016
  • [Journal Article] 全電子混合基底法プログラムTOMBOを活用した材料科学2014

    • Author(s)
      佐原亮二、小野頌太、大野かおる
    • Journal Title

      まてりあ(日本金属学会会報)

      Volume: 53 Pages: 400-404

    • NAID

      130004687160

    • Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] Effects of environmental factors on the conversion efficiency of solar thermoelectric co-generators comprising parabola trough collectrors and thermoelectric modules without evacuated tubular collector2014

    • Author(s)
      Chao Li, Ming Zhang, Lei Miao, Jianhua Zhou, Yi Pu Kang, C. A. J. Fisher, Kaoru Ohno, Yang Shen, and Hong Lin
    • Journal Title

      Energy Conversion and Management

      Volume: 86 Pages: 944-951

    • DOI

      10.1016/j.enconman.2014.06.010

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Tunable Seebeck Coefficient in Monolayer Graphene Under Periodic Potentials2014

    • Author(s)
      Shota Ono, Ming Zhang, Yusuke Noda, and Kaoru Ohno
    • Journal Title

      J. of Electronic Materials

      Volume: 43 Pages: 1505-1508

    • DOI

      10.1007/s11664-013-2750-5

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Linearized self-consistent GW approach satisfying the Ward identity2014

    • Author(s)
      Riichi Kuwahara and Kaoru Ohno
    • Journal Title

      Phys. Rev. A

      Volume: 90

    • DOI

      10.1103/physreva.90.032506

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Validity of virial theorem in all-electron mixed basis density functional, Hartree--Fock, and GW calculations2014

    • Author(s)
      Riichi Kuwahara, Yoichi Tadokoro, and Kaoru Ohno
    • Journal Title

      Journal of Chemical Physics

      Volume: 141

    • DOI

      10.1063/1.4893477

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] 全電子混合基底法プログラムTOMBOを活用した材料科学2014

    • Author(s)
      佐原亮二、小野頌太、大野かおる
    • Journal Title

      まてりあ(日本金属学会会報)

      Volume: 53 Pages: 400-404

    • NAID

      130004687160

    • Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Journal Article] Low-Temperature, Solution-Based, Scalable Synthesis of Sb2Te3 Nanoparticles with an Enhanced Power Factor2014

    • Author(s)
      Heng Quan Yang, Lei Miao, Ming Zhang, Kaoru Ohno, Jian Hua Zhou, Hui Gu, Yang Shen, and Hong Lin
    • Journal Title

      Journal of Electronic Materials

      Volume: 43 Pages: 2165-2173

    • DOI

      10.1007/s11664-014-2995-7

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Stable spin states of boron, aluminum, and silicon dimers in a self-consistent GW calculation2014

    • Author(s)
      Riichi Kuwahara and Kaoru Ohno
    • Journal Title

      Mod. Phys. Lett. B

      Volume: 28

    • DOI

      10.1142/s0217984914501668

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Electronic structure of α-sexithiophene ultrathin films grown on passivated Si(001) surfaces2014

    • Author(s)
      K. Hiraga, H. Toyoshima, H. Tanaka, K. Inoue, S. Ohno, K. Mukai, J. Yoshinobu, M. Tanaka
    • Journal Title

      Applied Surface Science

      Volume: 307 Pages: 520-524

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Journal Article] Metallic three-coordinated carbon networks with eight-membered rings showing high density of states at the Fermi level2014

    • Author(s)
      Yusuke Noda, Shota Ono, and Kaoru Ohno
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 16 Pages: 7102-7107

    • DOI

      10.1039/c4cp00159a

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Heterojunction of single-walled capped carbon nanotube and zinc phthalocyanine with high energy conversion efficiency2014

    • Author(s)
      Shota Ono, Riichi Kuwahara, and Kaoru Ohno
    • Journal Title

      Journal of Applied Physics

      Volume: 116

    • DOI

      10.1063/1.4892093

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Sensitive electron capture decay rate of 7Be encapsulated in carbon nantubes:A density fimctional study2013

    • Author(s)
      Shota Ono, Riichi Kuwahar, Tsuguo Morisato, and Kaoru Ohno
    • Journal Title

      Chem. Phys Lett

      Volume: 561-562 Pages: 137-141

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Sensitive electron capture decay rate of 7Be encapsulated in carbon nanotubes: A density functional study2013

    • Author(s)
      Shota Ono
    • Journal Title

      Chem. Phys. Lett.

      Volume: 561-562 Pages: 137-141

    • DOI

      10.1016/j.cplett.2013.01.054

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115, KAKENHI-PROJECT-23654115, KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Sensitive electron capture decay rate of 7Be encapsulated in carbon nano-tubes: A density functional study2013

    • Author(s)
      Shota Ono, Riichi Kuwahar, Tsuguo Morisato, and Kaoru Ohno
    • Journal Title

      Chem. Phys. Lett

      Volume: 561-562 Pages: 137-141

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Journal Article] Effect of nickel dimer on the dissociation dynamics of hydrogen molecule2013

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel H. F. Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Journal Title

      RSC Advances

      Volume: 3 Pages: 12307-12312

    • DOI

      10.1039/c3ra40928g

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] 6員環の幾何学的構造に依存する1次元ピーナッツ型フラーレンポリマーの電子状態2012

    • Author(s)
      野田祐輔、大野かおる
    • Journal Title

      ナノ学会会報(受賞記事)

      Volume: Vol.11 (1) Pages: 21-25

    • NAID

      40019516367

    • Data Source
      KAKENHI-PROJECT-23654115
  • [Journal Article] 6員環の幾何学的構造に依存する1次元ピーナッツ型フラーレンポリマーの電子状態2012

    • Author(s)
      野田祐輔、大野かおる
    • Journal Title

      ナノ学会会報(受賞記事)

      Volume: Vol.11(1) Pages: 21-25

    • NAID

      40019516367

    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] A GW+Bethe-Salpeter calculation on photoabsorption spectra of (CdSe)_3 and (CdSe)_6 clusters2012

    • Author(s)
      Y. Noguchi, O. Sugino, M. Nagaoka, S. Ishii,and K. Ohno
    • Journal Title

      J. Chem. Phys.

      Volume: 137

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Journal Article] A GW+Bethe-Salpeter calculation on photoabsorption spectra of(CdSe)_3 and(CdSe)_6 clusters2012

    • Author(s)
      Y.Noguchi,O. Sugino, M. Nagaoka, S. Ishii, and K. Ohno
    • Journal Title

      J. Chem. Phys

      Volume: 137 Pages: 0243061-5

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Encapsulation of Carbon Chain Molecules in Single-Walled Carbon Nanotubes2011

    • Author(s)
      Riichi Kuwahara, Yohei Kudo, Tsuguo Morisato, Kaoru Ohno
    • Journal Title

      Journal of Physical Chemistry A

      Volume: 115 Pages: 5147-5156

    • DOI

      10.1021/jp109308w

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115, KAKENHI-PROJECT-23654115
  • [Journal Article] Encapsulation of Carbon Chain Mole-cules in Single-Walled Carbon Nanotubes2011

    • Author(s)
      R. Kuwahara, Y. Kudo, T. Morisato, and K.Ohno
    • Journal Title

      J.Phys. Chem

      Volume: A115 Pages: 5147-5156

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Journal Article] Encapsulation of Carbon Chain Molecules in Single-walled Carbon Nanotubes2011

    • Author(s)
      R.Kuwahara, Y Kudo, T. Morisato, and K. Ohno
    • Journal Title

      J. Phys. Chem

      Volume: A115 Pages: 5147-5156

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Vacuum-ultraviolet reflectance difference spectroscopy for characterizing dielectrics-semiconductor interfaces2011

    • Author(s)
      S. Ogata, S. Ohno, M. Tanaka, T. Mori, T. Horikawa and T. Yasuda
    • Journal Title

      Thin Solid Films

      Volume: 519 Pages: 2830-2833

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] Metallic and non-metallic properties of one-dimensional peanut-shaped fullerene polymers2011

    • Author(s)
      Yusuke Noda, Kaoru Ohno
    • Journal Title

      Synethetic Metals

      Volume: 161 Pages: 1546-1551

    • DOI

      10.1016/j.synthmet.2011.05.012

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115, KAKENHI-PROJECT-23654115
  • [Journal Article] Enhanced silicon oxidation on titanium-covered Si(001)2011

    • Author(s)
      S. Ohno, K. Shudo, F. Nakayama, K. Yamazaki, Y. Ichikawa, M. Tanaka, T. Okuda, A. Harasawa, I. Matsuda and A. Kakizaki
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: 23

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] Enhanced silicon oxidation on titanium-covered Si(001)2011

    • Author(s)
      S.Ohno, K.Shudo, F.Nakayama, K.Yamazaki, Y.Ichikawa, M.Tanaka, T.Okuda, A.Harasawa, I.Matsuda, A.Kakizaki
    • Journal Title

      J.Phys. : Condens.Matter

      Volume: 23

    • DOI

      10.1088/0953-8984/23/30/305001

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] SiO^2/Si interfaces on high-index surfaces : Re-evaluation of trap densities and characterization of bonding structures2011

    • Author(s)
      S.Ogata, S.Ohno, M.Tanaka, T.Mori, T.Horikawa, T.Yasuda
    • Journal Title

      Applied Physics Letters

      Volume: 98

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] Metallic and non-metallic properties of one-dimensional peanut-shaped fullerene polymers2011

    • Author(s)
      Y.Noda and K. Ohno
    • Journal Title

      Synthetic Metals

      Volume: 161 Pages: 1546-1551

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Metallic and non-metallic properties of one-dimensional peanut-shaped fullerene polymers2011

    • Author(s)
      Y. Noda and K. Ohno
    • Journal Title

      Synthetic Metals

      Volume: 161 Pages: 1546-1551

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Journal Article] Charge Separation Dynamics at Molecular Heterojunction of C_<60> and Zinc Phthalocyanine2010

    • Author(s)
      Y. Kodama, K. Ohno
    • Journal Title

      Appl.Phys.Lett. 96, 034101

      Pages: 1-3

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] Reflectance Difference Spectroscopy in Vacuum-Ultraviolet Range : Developing Measurement System and Applying to Characterization of SiO_2/Si Interfaces2010

    • Author(s)
      S.Ogata, S.Ohno, M.Tanaka, T.Horikawa, T.Yasuda
    • Journal Title

      Japanese Journal of Applied Physics 49

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] Cluster Size Dependence of Double Ionization Energy Spectra of Spin-Polarized Aluminum and Sodium Clusters : All-Electron Spin-Polarized GW+T-Matrix Method2010

    • Author(s)
      Y. Noguchi, K. Ohno, I. Solovyev, T. Sasaki
    • Journal Title

      Phys.Rev.B 81, 165411

      Pages: 1-9

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] Charge separation dynamics at molecular heterojunction of C60 and zinc phthalocyanine2010

    • Author(s)
      Y.Kodama, K.Ohno
    • Journal Title

      Applied Physics Letters 96

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] Charge separation dynamics at molecular heterojunction of C_<60> and zinc phthalocyanine2010

    • Author(s)
      Yasunobu Kodama, Kaoru Ohno
    • Journal Title

      Appl.Phys.Lett. 96

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Reaction kinetics in the rapid oxide growth on Si(001)-(2x1) probed with reflectance difference spectroscopy2010

    • Author(s)
      S.Ohno, T.Ochiai, M.Morimoto, T. Suzuki, K.Shudo, M.Tanaka
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 49

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Journal Article] All-electron first-principles GW+Bethe-Salpeter calculation for optical absorption spectra of sodium clusters2010

    • Author(s)
      Yoshifumi Noguchi , Kaoru Ohno
    • Journal Title

      Physical Review A

      Volume: 81 Pages: 45201-45214

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] All-Electron GW Calculations of Silicon, Diamond, and Silicon Carbide2010

    • Author(s)
      S. Ishii, S. Iwata, and K. Ohno
    • Journal Title

      Mater. Trans

      Volume: 51(12) Pages: 2150-2156

    • NAID

      10027471372

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] All-Electron GW Calculations of Silicon, Diamond, and Silicon Carbide2010

    • Author(s)
      Soh Ishii, Shohei Iwata, Kaoru Ohno
    • Journal Title

      Materials Transactions

      Volume: 51 Pages: 2150-2156

    • NAID

      10027471372

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Atomistic nucleation and growth mechanism for single-wall carbon nanotubes on catalytic nanopartile2010

    • Author(s)
      Jian-Tao Wang, Changfeng Chen, Kaoru Ohno, Enge Wang, Xiao-Long Chen, Ding-Sheng Wang, Hiroshi Mizuseki, Yoshifuki Kawazoe
    • Journal Title

      Nanotechnolgy 21

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Charge separation dynamics at molecular heterojunction of C_60 and zinc phthalocyanine2010

    • Author(s)
      Y.Kodama and K. Ohno
    • Journal Title

      Appl. Phys

      Volume: Lett.96 034101 Pages: 1-3

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Cluster size dependence of double ionization energy spectra of spin-polarized aluminum and sodium clusters : All-electron spin-polarized GW+ T-matrix method2010

    • Author(s)
      Yoshifumi Noguchi, Kaoru Ohno, Igor Solovyev, Taizo Sasaki
    • Journal Title

      Physical Review B 81

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] All-Electron First-Principles GW+Bethe-Salpeter Calculation for Optical Absorption Spectra of Sodium Clusters2010

    • Author(s)
      Y. Noguchi, K. Ohno
    • Journal Title

      Phys.Rev.A 81, 045201

      Pages: 1-4

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] Atomistic Nucleation and Growth Mechanism for Single-Wall Carbon Nanotubes on Catalytic Nanopartile2010

    • Author(s)
      J.-T. Wang, C. Chen, K. Ohno, E. Wang, X.-L. Chen, D.-S. Wang, H. Mizuseki, Y. Kawazoe
    • Journal Title

      Nanotechnology 21, 115602

      Pages: 1-5

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] Atomistic nucleation and growth mechanism for single-wall carbon nanotubes on catalytic nanopartile2010

    • Author(s)
      J.-T. Wang, C. Chen, K. Ohno, E. Wang, X.-L.Chen, D.-S. Wang, H. Mizuseki, and Y Kawazoe
    • Journal Title

      Nanotechnology 21

      Volume: 115602 Pages: 1-5

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Cluster size dependence of double ionization energy spectra of spin-polarized aluminum and sodium clusters : All-electronspin-polarized GW+T-matrix method2010

    • Author(s)
      Yoshifumi Noguchi , Kaoru Ohno
    • Journal Title

      Physical Review B

      Volume: 81 Pages: 165411-165419

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Linear and Nonlinear Elastic Behaviors of Star Polymers2009

    • Author(s)
      S. Masatsuji, N Nakagawa, and K. Ohno
    • Journal Title

      Macromolecules

      Volume: 42(8) Pages: 3170-3178

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] π共役デンドリマーの電子ダイナミクス計算2009

    • Author(s)
      見玉泰伸、大野かおる
    • Journal Title

      ナノ学会会報(受賞記事)

      Volume: Vol.8(1) Pages: 15-21

    • NAID

      40016914362

    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] A Lattice Gas Model with Tetrahedral 4-Body Interaction of FePt Alloy Clusters2009

    • Author(s)
      Satoru Masatsuji, Yuji Misumi, Soh Ishii, Kaoru Ohno
    • Journal Title

      Journal of the Japanese Institute of Metals 73

      Pages: 550-554

    • NAID

      10025156737

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Dynamics simulation of a π-conjugated light-harvesting dendrimer II : phenylene-based dendrimer(phDG2)2009

    • Author(s)
      Yasunobu Kodama, Soh Ishii, Kaoru Ohno
    • Journal Title

      J.Phys.: Condens.Matter 21

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Dynamics Simulation of a π-Conjugated Light-Harvesting Dendrimer II : Phenylene-Based Dendrimer (phDG2)2009

    • Author(s)
      Y. Kodama, S. Ishii, K. Ohno
    • Journal Title

      J.Phys.: Condens.Matter 21, 064217

      Pages: 1-6

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] Crossover Between Linear and Nonlinear Elastic Behaviors in Random and Self-Avoiding Walks (Addition/Correction)2009

    • Author(s)
      Satoru Masatsuji, Natsuko Nakagawa, and Kaoru Ohno
    • Journal Title

      Macromolecules 42

      Pages: 892-892

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Dynamics simulation of a π-conjugated lightharvesting dendrimer II:phenylene-based dendrimer(phDG2)2009

    • Author(s)
      Y.Kodama, S. Ishii, and K. Ohno
    • Journal Title

      J. Phys:Condens. Matter 21

      Volume: 064217 Pages: 1-6

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] Dynamics simulation of a π-conjugated light-harvesting dendrimer II : phenylene-based dendrimer (phDG2)2009

    • Author(s)
      Y Kodama, S. Ishii, and K. Ohno
    • Journal Title

      J. Phys. : Condens. Matter 21

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Linear and Nonlinear Elastic Behaviors of Star Polymers2009

    • Author(s)
      Satoru.Masatsuji, Natsuko Nakagawa, Kaoru Ohno
    • Journal Title

      Macromolecules 42

      Pages: 3170-3178

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] π共役デンドリマーの電子ダイナミクス計算2009

    • Author(s)
      兒玉泰伸, 大野かおる
    • Journal Title

      ナノ学会会報(The Bulletin of the Nano Science and Technology) 8

      Pages: 15-21

    • NAID

      40016914362

    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] A Lattice Gas Model with Tetrahedral 4-Body Interaction of FePt Alloy Clusters2009

    • Author(s)
      S. Masatsuji, Y Misumi, S. Ishii, and K. Ohno
    • Journal Title

      Journal of the Japanese InstitUte of Metals 73

      Volume: (in Japanese) Pages: 550-554

    • NAID

      10025156737

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Journal Article] First Principles T-Matrix Calculations for Auger Specra of Hydrocarbon Systems2008

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno, I. Solovyev, T. Sasaki
    • Journal Title

      Phys.Rev.B 77, 035132

      Pages: 1-7

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] Chapter 1: General Introduction2008

    • Author(s)
      K. Ohno
    • Journal Title

      "Nano-and Micromaterials", Series on Advances in Materials Research 9

      Pages: 1-17

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Luminescence properties and relaxation processes of strongly correlated organic radical TTTA crystals and molecules2008

    • Author(s)
      H. Suzuki, S. Oguri, T. Kon, T. Yokoi, S. Ishii, K. Ohno, J. Takeda
    • Journal Title

      J. Lumin 128

      Pages: 789-791

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First principles T-matrix calculations for Auger specra of hydrocarbon systems2008

    • Author(s)
      Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
    • Journal Title

      Phys. Rev. B 77

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] A lattice Monte Carlo simulation of the FePt alloy using a first-principles renormalized four-body interaction2008

    • Author(s)
      Yuji Misumi, Satoru Masatsuji, Ryoji Sahara, Soh Ishii, and Kaoru Ohno
    • Journal Title

      J. Chem. Phys. 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] First principles calculations involving two-particle excited states of atoms and molecules using T-matrix theory", in "Nano- and Micromaterials2008

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      Series on Advances in Materials Research 9

      Pages: 189-217

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Electron-capture decay rato of ^7Be@C_60 by first-principles calculations based on density functional theory2008

    • Author(s)
      Tsuguo Morisato, Kaoru Ohno, Tsutomu Ohtsuki, Kentaro Hirose, Marcel,Sluiter, and Yoshiyuki Kawazone
    • Journal Title

      Phys. Rev. B 78

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] First-Principles Calculation of Photoabsorption Spectra of Cadmium Selenide Clusters2008

    • Author(s)
      Momoko Nagaoka, Soh Ishii, Yoshifumi Noguchi, and Kaoru Ohno
    • Journal Title

      Macromolecules 41

      Pages: 4037-4041

    • NAID

      10024402543

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] A Lattice Gas Model with Tetrahedral 4-Body Interaction of FePt Alloy Clusters2008

    • Author(s)
      Satoru Masatsuji, Yuji Misumi, Soh Ishii, and Kaoru Ohno
    • Journal Title

      Mater. Trans. 49

      Pages: 2424-2428

    • NAID

      10025156737

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Chapter 11: Thermodynamic Properties of Materials Using Lattice-Gas Models with Renormalized Potentials2008

    • Author(s)
      R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
    • Journal Title

      "Nano-and Micromaterials", Series on Advances in Materials Research 9

      Pages: 275-290

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Nano-and Micromaterials, Advances2008

    • Author(s)
      K. Ohno
    • Journal Title

      Materials Research9, Springer-Verlag

    • Data Source
      KAKENHI-PROJECT-17310068
  • [Journal Article] Chapter 6: Ab-initio GW calculations using an all-electron approach2008

    • Author(s)
      S. Ishii, K. Ohno, and Y. Kawazoe
    • Journal Title

      "Nano-and Micromaterials", Series on Advances in Materials Research 9

      Pages: 171-188

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Chapter 1: General Introduction2008

    • Author(s)
      K. Ohno
    • Journal Title

      "Nano-and Micromaterials", Series on Advances in Materials Research 9

      Pages: 1-17

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Chapter 1: General Introduction2008

    • Author(s)
      K. Ohno
    • Journal Title

      Nano-and Micromaterials, Series on Advances in Materials Research 9

      Pages: 1-17

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Chapter 5: Organic radical 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA) as strongly correlated electronic systems2008

    • Author(s)
      J. Takeda, Y. Noguchi, S. Ishii, and K. Ohno
    • Journal Title

      "Nano-and Micromaterials", Series on Advances in Materials Research 9

      Pages: 144-169

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Thermodynamic Properties of Materials Using Lattice-Gas Models with Renormalized Potentials" in "Nano- and Micromaterials2008

    • Author(s)
      R. Sahara, H. Mizuseki, K. Ohno, Y. Kawazoe
    • Journal Title

      Series on Advances in Materials Research 9

      Pages: 275-290

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Crossover Between Linear and Nonlinear Elastic Behaviors in Random and Self-Avoiding Walks2008

    • Author(s)
      Satoru Masatsuji, Natsuko Nakagawa, and Kaoru Ohno
    • Journal Title

      Macromolecules 41

      Pages: 4037-4041

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Chapter 7: First principles calculations involving two-particle excited states of atoms and molecules using T-matrix theory2008

    • Author(s)
      Y. Noguchi, S. Ishii, and K. Ohno
    • Journal Title

      "Nano-and Micromaterials", Series on Advances in Materials Research 9

      Pages: 189-217

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Quasiparticle energy spectra of alkali-metal clusters : All-electron first-principles calculations2008

    • Author(s)
      Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, and Taizo Sasaki
    • Journal Title

      J. Chem. Phys. 129

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Luminescence Properties and Relaxation Processes of Strongly Correlated Organic Radical TTTA Crystals and Molecules2008

    • Author(s)
      H. Suzuki, S. Oguri, T. Kon, T. Yokoi, S. Ishii, K. Ohno, J. Takeda
    • Journal Title

      J.Lumin. 128

      Pages: 789-791

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] First principles T-matrix calculations for Auger specra of hydrocarbon systems2008

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno, I. Solovyev, T. Sasaki
    • Journal Title

      Phys. Rev B 77, 035132

      Pages: 1-7

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Organic radical 1,3,5-trithia-2,4,6- triazapentalenyl(TTTA) as strongly correlated electronic systems", in "Nano- and Micromaterials2008

    • Author(s)
      J. Takeda, Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      Series on Advances in Materials Research 9

      Pages: 171-188

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] General Introduction", in "Nano- and Micromaterials2008

    • Author(s)
      K. Ohno
    • Journal Title

      Series on Advances in Materials Research 9

      Pages: 1-17

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First principles T-matrix calculations for Auger specra of hydrocarbon systems2008

    • Author(s)
      Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
    • Journal Title

      Phys. Rev. B 77

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Nano- and Micromaterials2008

    • Author(s)
      K. Ohno, M. Tanaka, J. Takeda, Y. Kawazoe(edited)
    • Journal Title

      Series on Advances in Materials Research 9

      Pages: 1-337

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Quasiparticle Energy Spectra of Alkali-Metal Clusters : All-Electron First-Principles Calculations2008

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno, T. Sasaki
    • Journal Title

      J.Chem.Phys. 129, 104104

      Pages: 1-7

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Journal Article] First Principles Calculations of Double Ionization Energy Spectra and Two-electron Distribution Function Using T-matrix Theory2007

    • Author(s)
      Y. Noguchi, S. Ishii, and K. Ohno
    • Journal Title

      J. Electron Spectroscopy and Related Phenomena 156-158

      Pages: 155-157

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Luminescence properties and relaxation processes of strongly correlated organic radical TTTA crystals and molecules2007

    • Author(s)
      H. Suzuki, S. Oguri, T. Kon, T. Yokoi, S. Ishii, K. Ohno, and J. Takeda
    • Journal Title

      J. Lumin. 128

      Pages: 789-791

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Optimized 3D structures and energy bands of peanut-shaped C_<60> polymers2007

    • Author(s)
      K. Ohno, Y. Noguchi, S. Ueda, J. Onoe
    • Journal Title

      Eur. Phys. J D 43

      Pages: 137-140

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-principles GW calculations of GaAs clusters and crystal using an all-electron mixed basis approach2007

    • Author(s)
      Erm Kikuchi, Shohei Iwata, Soh Ishii, and Kaoru Ohno
    • Journal Title

      Phys. Rev. B 76

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Time-dependent SchrOdinger equation approach and Bethe-Salpeter equation approach2007

    • Author(s)
      K. Ohno
    • Journal Title

      Mater. Trans 48

      Pages: 649-652

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] A Monte Carlo Simulation of the Formation of Micelles in a Ternary System of Water, Oil and Amphiphilic Polymers2007

    • Author(s)
      N. Nakagawa, S. Maeda, S. Ishii, K. Ohno
    • Journal Title

      Mater. Trans 48

      Pages: 653-657

    • NAID

      130004453523

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Electron-Capture Decay Rate of 7Be Encapsulated in C_<60> Cages2007

    • Author(s)
      T. Ohtsuki, K. Hirose, and K. Ohno
    • Journal Title

      J. Nucl. Radiochem. Sci. 8

    • NAID

      110002078816

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Entropy of Polymer Brushes in Good Solvents: A Monte Carlo Study2007

    • Author(s)
      K. Ohno
    • Journal Title

      Macromolecules 40

      Pages: 723-730

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Radioactive decay speed-up at T=5K: The electron-capture decay rate of 7Be encapsulated in C_<60>2007

    • Author(s)
      T. Ohtsuki, K. Ohno, T. Morisato, T. Mitsugashira, K. Hirose, H. Yuki, and J. Kasagi
    • Journal Title

      Phys. Rev. Lett. 98

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Dynamics simulation of an-conjugated light-harvesting dendrimer2007

    • Author(s)
      Y. Kodama, S. Ishii, K. Ohno
    • Journal Title

      J. Phys. : Condens. Matter 19 365242

      Pages: 1-8

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Interaction between single-walled carbon nanotube and an Fe atom2007

    • Author(s)
      Y. Kudo, T. Hira, S. Ishii, T. Morisato, K. Ohno
    • Journal Title

      J. Phys. : Conference Series 61

      Pages: 633-637

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Molecular dynamics simulation using time-depen-dent density functional theory: An application to the light-harvesting function in a methane-lithium system2007

    • Author(s)
      Y. Kodama, K. Ohno
    • Journal Title

      J. Mater. Sci. : Materials in Electronics 18 (supplement 1)

      Pages: 217-220

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Dynamics simulation of a π-conjugated light-harvesting dendrimer2007

    • Author(s)
      Y. Kodama, S. Ishii, and K. Ohno
    • Journal Title

      J. Phys.: Condens. Matter 19

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] The valence electronic structure of cross-linked C_<60> polymers: Insitu high-resolution photoelectron spectroscopic and density-functional studies2007

    • Author(s)
      Jun Onoe, Takahiro Ito, Shin-ichi Kimura, Kaoru Ohno, Yoshifumi Noguchi, and Sho Ueda
    • Journal Title

      Phys. Rev. B 75

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Interaction between single-walled carbon nanotube and an Featom2007

    • Author(s)
      Y. Kudo, T. Hira, S. Ishii, T. Morisato, and K. Ohno
    • Journal Title

      J. Phys.: Conference Series 61

      Pages: 633-637

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Electronic and electron-tranport properties of peanut-shaped C_<60> polymers2007

    • Author(s)
      J. Onoe, Y. Ochiai, T. Ito, S. Kimura, S. Ueda, Y. Noguchi, and K. Ohno
    • Journal Title

      J. Phys.: Conference Series 61

      Pages: 899-903

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Optimized 3D structures and energy bands of peanut-shaped C_60 polymers2007

    • Author(s)
      K. Ohno
    • Journal Title

      Eur. Phys. J. D 43

      Pages: 137-140

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] Entropy of Polymer Brushes in Good Solvents: A Monte Carlo Study2007

    • Author(s)
      K. Ohno, T. Sakamoto, T. Minagawa, Y. Okabe
    • Journal Title

      Macromolecules 40

      Pages: 723-730

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Entropy of Polymer Brushes in Good Solvents: A Monte Carlo Study2007

    • Author(s)
      K. Ohno
    • Journal Title

      Macromolecules 40

      Pages: 723-730

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Short-range electron correlations of CO_2 molecule by first principles T-matrix calculations2007

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      Mater. Trans 48

      Pages: 638-640

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First Principles Calculations of Double Ionization Energy Spectra and Two-electron Distribution Function Using T-matrix Theory2007

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      J. Electron Spectroscopy and Related Phenomena

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Short-range electron correlations of CO_2 molecule by first principles T-matrix calculations2007

    • Author(s)
      Y. Noguchi, S. lshii, and K. Ohno
    • Journal Title

      Mater. Trans. 48

      Pages: 638-640

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] The valence electronic structure of cross-linked C_<60> polymers: In situ high-resolution photoelectron spectroscopic and density-functional studies2007

    • Author(s)
      J. Onoe, T. Ito, S. Kimura, K. Ohno, Y. Noguchi, Sho, Ueda
    • Journal Title

      Phys. Rev B 75, 233410

      Pages: 1-4

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Lifetime Measurement of 7Be in Beryllium Metal Crystal2007

    • Author(s)
      T. Ohtsuki, K. Ohno, T. Morisato, and K. Hirose
    • Journal Title

      Mater. Trans. 48

      Pages: 646-648

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Radioactive decay speed-up at T=5K: The electron-capture decay rate of ^7Be encapsulated in C_<60>2007

    • Author(s)
      T. Ohtsuki, K. Ohno, T. Morisato, T. Mitsugashira, K. Hirose, H. Yuki, J. Kasagi
    • Journal Title

      Phys. Rev. Lett 98, 252501

      Pages: 1-4

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] In situ high-resolution valence photoelectron spectra of a peanut- shaped C_<60> polymer2007

    • Author(s)
      J. Onoe, T. Ito, S. Kimura, K. Ohno
    • Journal Title

      Eur. Phys. J D 43

      Pages: 141-142

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Optimized 3D structures and energy bands of peanut-shaped C_<60> polymers2007

    • Author(s)
      K. Ohno
    • Journal Title

      Eur. Phys. J. D 43

      Pages: 137-140

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] A Monte Carlo Simulation of the Formation of Micelles in a Ternary System of Water, Oil and Amphiphilic Polymers2007

    • Author(s)
      Natsuko Nakagawa, Shuji Maeda, Soh Ishii, and Kaoru Ohno
    • Journal Title

      Mater. Trans. 48

      Pages: 653-657

    • NAID

      130004453523

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Time-dependent Schrodinger equation approach and Bethe-Salpeter equation approach2007

    • Author(s)
      K. Ohno
    • Journal Title

      Mater. Trans. 48

      Pages: 649-652

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Journal Article] First-principles GW calculations of GaAs clusters and crystal using an all-electron mixed basis approach2007

    • Author(s)
      E. Kikuchi, S. Iwata, S. Ishii, K. Ohno
    • Journal Title

      Phys. Rev B 76, 075325

      Pages: 1-9

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Lifetime Measurement of ^7Be in Beryllium Metal Crystal2007

    • Author(s)
      T. Ohtsuki, K. Ohno, T. Morisato, K. Hirose
    • Journal Title

      Mater. Trans 48

      Pages: 646-648

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice2007

    • Author(s)
      K. Shida, A. Kasuya, K. Ohno, Y. Kawazoe, Y. Nakamura
    • Journal Title

      J. Chem. Phys 126, 154901

      Pages: 1-7

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Time-dependent Schrodinger equation approach and Bethe-Salpeter equation approach2007

    • Author(s)
      K. Ohno
    • Journal Title

      Mater. Trans. 48

      Pages: 649-652

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Electronic and electron-tranport properties of peanut-shaped C_<60> polymers2007

    • Author(s)
      J. Onoe, Y. Ochiai, T. Ito, S. Kimura, S. Ueda, Y. Noguchi, K. Ohno
    • Journal Title

      J. Phys. : Conference Series 61

      Pages: 899-903

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice2007

    • Author(s)
      K. Shida, A. Kasuya, K. Ohno, Y. Kawazoe, and Y. Nakamura
    • Journal Title

      J. Chem. Phys. 126

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] In situ high-resolution valence photoelectron spectra of a peanut-shaped C_<60>polymer2007

    • Author(s)
      J. Onoe, T. Ito, S. Kimura, and K. Ohno
    • Journal Title

      Eur. Phys. J. D 43

      Pages: 141-142

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Electron-Capture Decay Rate of ^7Be Encapsulated in C_<60> Cages2007

    • Author(s)
      T. Ohtsuki, K. Hirose, K. Ohno
    • Journal Title

      J. Nucl. Radiochem. Sci

    • NAID

      110002078816

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Optimized 3D structures and energy bands of peanut-shaped C_<60> polymers2007

    • Author(s)
      K. Ohno(他3名)
    • Journal Title

      Eur. Phys. J. D 43

      Pages: 137-140

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First Principles Calculations of Optical Absorption Spectra of Atoms in the Vacuum and Crystals2006

    • Author(s)
      K. Ohno, M. Furuya, S. Ishii, Y. Noguchi, S. Iwata, Y. Kawazoe, S. Nagasaka, T. Yoshinari, Y. Takahashi
    • Journal Title

      Comp. Mater. Sci 36

      Pages: 125-129

    • NAID

      120000920821

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Probabilistic electron density distribution in CdTe at RT and 200K2006

    • Author(s)
      R.Saravanan, S.Israel, Y.Ono, K.Ohno, M.Isshiki, T.Kajitani, R.K.Rajaram
    • Journal Title

      Crystal Res. Technol 41

      Pages: 259-267

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] First Principles Calculations of Optical Absorption Spectra of Atoms in the Vacuum and Crystals2006

    • Author(s)
      K. Ohno(他8名)
    • Journal Title

      Comp. Mater. Sci 36

      Pages: 125-129

    • NAID

      120000920821

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Dimensional dependence of electromic structure of fullerene polymers2006

    • Author(s)
      Sho Ueda, Kaoru Ohno, Yoshifumi Noguchi, Soh Ishii, Jun Onoe
    • Journal Title

      J.Phys. Chem. B 110

      Pages: 22347-22381

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Significant reduction of on-site Coulomb energy U due to short-range correlation in an organic Mott insulator2006

    • Author(s)
      K.Ohno, Y.Noguchi, T.Yokoi, S.Ishii, J.Takeda, M.Furuya
    • Journal Title

      Chem Phys Chem 7

      Pages: 1820-1824

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] All-electron GW calculation for quasiparticle energies in C_<60>2006

    • Author(s)
      H.Adachi, S.Ishii, K.Ohno, K.Ichinoseki, Y.Kawazoe
    • Journal Title

      Mater. Trans. 47

      Pages: 2620-2623

    • NAID

      10019276398

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations2006

    • Author(s)
      Y.Noguchi, S.Ishii, K.Ohno
    • Journal Title

      J. Chem. Phys. 125

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Significant Reduction of on-Site Coulomb Energy U due to Short-Range Correlation in an Organic Mott Insulator2006

    • Author(s)
      K. Ohno
    • Journal Title

      Chem Phys Chem 7

      Pages: 1820-1824

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310068
  • [Journal Article] Dimensional dependence of electronic structure of fullerene polymers2006

    • Author(s)
      Sho Ueda, Kaoru Ohno, Yoshifumi Noguchi, Soh Ishii, and Jun Onoe
    • Journal Title

      J. Phys. Chem. B 110

      Pages: 22347-22381

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of Potential Energy for Fe Atom around Entrance of (10,0) Carbon Nanotube2006

    • Author(s)
      Y.Kudo, T.Hara, S.Ishii, T.Morisato, K.Ohno
    • Journal Title

      Mater. Trans. 47

      Pages: 2462-2464

    • NAID

      10018310019

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system2006

    • Author(s)
      Y. Kodama, K. Ohno
    • Journal Title

      J. Chem. Phys 125, 054501

      Pages: 1-6

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Light-harvesting function through one-by-one electron and holetransfer in a methane-lithium system2006

    • Author(s)
      Y. Kodama and K. Ohno
    • Journal Title

      J. Chem. Phys. 125

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations2006

    • Author(s)
      Y. Noguchi, S. Ishii, and K. Ohno
    • Journal Title

      J. Chem. Phys. 125

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations2006

    • Author(s)
      Y.Noguchi, S.Ishii, K.Ohno
    • Journal Title

      J. Chem. Phys. 125

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] First Principles Calculations of Optical Absorption Spectra of Atoms in the Vacuum and Crystals2006

    • Author(s)
      K.Ohno, M.furuya, S.Ishii, Y.Noguchi, S.Iwata, Y.Kawazoe, S.Nagasaka, T.Yoshinari, Y.Takahashi
    • Journal Title

      Comp. Mater. Sci 36

      Pages: 125-129

    • NAID

      120000920821

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab initio quasiparticle energy calculations of Ge clusters using the GW approximation2006

    • Author(s)
      E. Kikuchi, S. Ishii, and K. Ohno
    • Journal Title

      Phys. Rev. B 74

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-principles Green's Function Study on Electronic Excited States of Molecules2006

    • Author(s)
      K.Ohno, S.Ishii, Y.Noguchi
    • Journal Title

      J. Phys. : Conference Series 29

      Pages: 39-44

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Significant Reduction of on-Site Coulomb Energy U due to Short-Range Correlation in an Organic Mott Insulator2006

    • Author(s)
      K. Ohno, et. al.
    • Journal Title

      ChemPhysChem 7

      Pages: 1820-1824

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310068
  • [Journal Article] First-principles Green's Function Study on Electronic Excited States of Molecules2006

    • Author(s)
      K. Ohno, S. Ishii, Y. Noguchi
    • Journal Title

      J. Phys. : Conference Series 29

      Pages: 39-44

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system2006

    • Author(s)
      Y.Kodama, K.Ohno
    • Journal Title

      J. Chem. Phys. 125

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Significant reduction of on-site Coulomb energy U due toshort-range correlation in an organic Mott insulator2006

    • Author(s)
      K. Ohno(他5名)
    • Journal Title

      ChemPhysChem 7

      Pages: 1820-1824

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Dimensional dependence of electronic structure of fullerene polymers2006

    • Author(s)
      Sho, Ueda, Kaoru, Ohno, Yoshifumi, Noguchi, Soh, Ishii, Jun, Onoe
    • Journal Title

      J. Phys. Chem B 110

      Pages: 22374-22381

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Entropy of Polymer Brushes in Good Solvents : A Monte Carlo Study2006

    • Author(s)
      K.Ohno, T.Sakamoto, T.Minagawa, Y.Okabe
    • Journal Title

      Macromolecules 40

      Pages: 723-730

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of Potential Energy for Fe Atom around Entrance of(10,0) Carbon Nanotube2006

    • Author(s)
      Y. Kudo, T. Hara, S. Ishii, T. Morisato, K. Ohno
    • Journal Title

      Mater. Trans 47

      Pages: 2462-2464

    • NAID

      10018310019

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-principles Green's Function Study on Electronic Excited States of Molecules2006

    • Author(s)
      K.Ohno, S.Ishii, Y.Noguchi
    • Journal Title

      J. Phys. : Conference Series 29

      Pages: 39-44

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] All-electron GW calculation for quasiparticle energies in C_<60>2006

    • Author(s)
      H. Adachi, S. Ishii, K. Ohno, K. Ichinoseki, Y. Kawazoe
    • Journal Title

      Mater. Trans 47

      Pages: 2620-2623

    • NAID

      10019276398

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Significant Reduction of on-Site Coulomb Energy U due to Short-Range Correlation in an Organic Mott Insulator2006

    • Author(s)
      K.Ohno, Y.Noguchi, T.Yokoi, S.Ishii, J.Takeda, M.Furuya
    • Journal Title

      ChemPhysChem 7

      Pages: 1820-1824

    • Data Source
      KAKENHI-PROJECT-17310068
  • [Journal Article] Probabilistic electron density distribution in CdTe at RT and 200K2006

    • Author(s)
      R.Saravanan, S.Israel, Y.One, K.Ohno, M.Isshiki, T.Kajitani, R.K.Rajaram
    • Journal Title

      Crystal Res. Technol. 41

      Pages: 259-267

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] All-electron GW calculation for quasiparticle energies in C_<60>2006

    • Author(s)
      H. Adachi, S. Ishii, K. Ohno, K. Ichinoseki, and Y. Kawazoe
    • Journal Title

      Mater. Trans. 47

      Pages: 2620-2623

    • NAID

      10019276398

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of Potential Energy for Fe Atom around Entrance of(10,0) Carbon Nanotube2006

    • Author(s)
      Y.Kudo, T.Hara, S.Ishii, T.Morisato, K.Ohno
    • Journal Title

      Mater. Trans. 47

      Pages: 2462-2464

    • NAID

      10018310019

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab initio quasiparticle energy calculations of Ge clusters using the GW approximation2006

    • Author(s)
      E.Kikuchi, S.Ishii, K.Ohno
    • Journal Title

      Phys. Rev. B 74

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of Potential Energy for Fe Atom around Entrance of(10,0)Carbon Nanotube2006

    • Author(s)
      Y. Kudo, T. Hara, S. Ishii, T. Morisato, and K. Ohno
    • Journal Title

      Mater. Trans. 47

      Pages: 2462-2464

    • NAID

      10018310019

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-principles Green's Function Study on Electronic Excited States of Molecules2006

    • Author(s)
      K. Ohno(他2名)
    • Journal Title

      J. Phys.: Conference Series 29

      Pages: 39-44

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Entropy of Polymer Brushes in Good Solvents: A Monte Carlo Study2006

    • Author(s)
      K. Ohno(他3名)
    • Journal Title

      Macromolecules 40

      Pages: 723-730

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Probabilistic electron density distribution in CdTe at RT and 200K2006

    • Author(s)
      R. Saravanan, S. Israel, Y. Ono, K. Ohno, M. Isshiki, T. Kajitani, and R. K. Rajaram
    • Journal Title

      Crystal Res. Technol. 41

      Pages: 259-267

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab initio quasiparticle energy calculations of Ge clusters using the GW approximation2006

    • Author(s)
      E. Kikuchi, S. Ishii, K. Ohno
    • Journal Title

      Phys. Rev B 74, 195410

      Pages: 1-6

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] All-electron GW calculation for quasiparticle energies in C_<60>2006

    • Author(s)
      H.Adachi, S.Ishii, K.Ohno, K.Ichinoseki, Y.Kawazoe
    • Journal Title

      Mater. Trans. 47

      Pages: 2620-2623

    • NAID

      10019276398

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Significant reduction of on-site Coulomb energy U due to short-range correlation in an organic Mott insulator2006

    • Author(s)
      K.Ohno, Y.Noguchi, T.Yokoi, S.Ishii, J.Takeda, M.Furuya
    • Journal Title

      ChemPhysChem 7

      Pages: 1820-1824

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system2006

    • Author(s)
      Y.Kodama, K.Ohno
    • Journal Title

      J. Chem. Phys. 125

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Dimensional dependence of electronic structure of fullerene polymers2006

    • Author(s)
      Sho Ueda, Kaoru Ohno, Yoshifumi Noguchi, Soh Ishii, Jun Onoe
    • Journal Title

      J. Phys. Chem. B 110

      Pages: 22347-22381

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] First Principles Calculations of Optical Absorption Spectra of Atoms in the Vacuum and Crystals2006

    • Author(s)
      K.Ohno, M.Furuya, S.Ishii, Y.Noguchi, S.Iwata, Y.Kawazoe, S.Nagasaka, T.Yoshinari, Y.Takahashi
    • Journal Title

      Comp. Mater. Sci 36

      Pages: 125-129

    • NAID

      120000920821

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Significant reduction of on-site Coulomb energy U due to short-range correlation in an organic Mott insulator2006

    • Author(s)
      K. Ohno, Y. Noguchi, T. Yokoi, S. Ishii, J. Takeda, M. Furuya
    • Journal Title

      ChemPhysChem 7(8)

      Pages: 1820-1824

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Probabilistic electron density distribution in CdTe at RT and 200K2006

    • Author(s)
      R. Saravanan, S. Israel, Y. Ono, K. Ohno, M. Isshiki, T. Kajitani, R. K. Rajaram
    • Journal Title

      Crystal Res. Technol 41

      Pages: 259-267

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab initio quasiparticle energy calculations of Ge clusters using the GW approximation2006

    • Author(s)
      E.Kikuchi, S.Ishii, K.Ohno
    • Journal Title

      Phys. Rev. B 74

    • Data Source
      KAKENHI-PROJECT-18036005
  • [Journal Article] Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations2006

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      J. Chem. Phys 125, 114108

      Pages: 1-6

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Formation of Po@C_<60>2005

    • Author(s)
      T. Ohtsuki, K. Ohno
    • Journal Title

      Phys. Rev. B B 72, 153411

      Pages: 1-3

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-Principles T-matrix Calculations of Double Ionization Energy Spectra of Atoms and Molecules2005

    • Author(s)
      Y. Noguchi, Y. Kudo, S. Ishii and K. Ohno
    • Journal Title

      J. Chem. Phys. 123

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Thermodynamic Properties of Transition Metals Using Face-Centered-Cubic Lattice Model with Renormalized Potentials2005

    • Author(s)
      R. Sahara, H. Mizuseki, K. Ohno, Y. Kawazoe
    • Journal Title

      Mat. Trans 46

      Pages: 1127-1130

    • NAID

      10016438357

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-Principles Calculations of Hydrogen-Terminated Si(100)2x1 Surface with Missing Dimers2005

    • Author(s)
      S. Masatsuji, Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      J. Metastable & Nanocrystalline Materials 24/25

      Pages: 245-248

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of energy bands for peanuts-shaped fused fullerene polymers2005

    • Author(s)
      S. Ueda, Y. Noguchi, S. Ishii, J. Onoe, K. Ohno
    • Journal Title

      J. Metastable & Nanocrystalline Materials 24/25

      Pages: 249-252

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Evolution of the electronic structure of Be clusters2005

    • Author(s)
      V. Cerowski, B. K. Rao, S. N. Khanna, P. Jena, S. Ishii, K. Ohno, Y. Kawazoe
    • Journal Title

      J. Chem. Phys 123, 074329

      Pages: 1-10

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Time-dependent density functional approach to chemical reactions induced by electronic double excitation2005

    • Author(s)
      T.Sawada, K.Ohno
    • Journal Title

      Chem.Phys.Lett. 405

      Pages: 234-239

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of energy bands for peanuts-shaped fused fullerene polymers2005

    • Author(s)
      S.Ueda, Y.Noguchi, S.Ishii, J.Onoe, K.Ohno
    • Journal Title

      J.Metastable & Nanocrystalline Materials 24/25

      Pages: 549-252

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements2005

    • Author(s)
      S. Oguri, O. Hanado, J. Takeda, M. Furuya, K. Ohno, S. Inoue, T. Kodaira
    • Journal Title

      J. Lumin 112

      Pages: 283-286

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab Initio All-Electron GWCalculation of Lithium Chloride Crystal2005

    • Author(s)
      S. Iwata, S. Ishii and K. Ohno
    • Journal Title

      Materials Transactions 46・6

      Pages: 1100-1102

    • NAID

      10016438183

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements2005

    • Author(s)
      S. Oguri, O. Hanado, J. Takeda, M. Furuya, K. Ohno, S. Inoue and T. Kodaira
    • Journal Title

      J. Lumin. 112

      Pages: 283-286

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] The Entropy of Grafted Polymer Layers in Good Solvent2005

    • Author(s)
      T. Sakamoto, S. Ishii, K. Ohno
    • Journal Title

      J. Metastable & Nanocrystalline Materials 24/25

      Pages: 241-244

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] The Entropy of Grafted Polymer Layers in Good Solvent2005

    • Author(s)
      T. Sakamoto, S. Ishii and K. Ohno
    • Journal Title

      J. Metastable & Nanocrystalline Materials 24/25

      Pages: 241-244

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Calculation of energy bands for peanuts-shaped fused fullerene polymers2005

    • Author(s)
      S. Ueda, Y. Noguchi, S. Ishii, J. Onoe and K. Ohno
    • Journal Title

      J. Metastable & Nanocrystalline Materials 24/25

      Pages: 249-252

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Formation of Po@C602005

    • Author(s)
      T.Ohtsuki, K.Ohno
    • Journal Title

      Physical Review B 72

      Pages: 153411-153411

    • NAID

      120000775799

    • Data Source
      KAKENHI-PROJECT-17350024
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements2005

    • Author(s)
      S.Oguri, O.Hanado, J.Takeda, M.Furuya, K.Ohno, S.Inoue, T.Kodaira
    • Journal Title

      Journal of Luminescence 112

      Pages: 283-286

    • Data Source
      KAKENHI-PROJECT-17310068
  • [Journal Article] Time-dependent density functional approach to chemical reactions induced by electronic double excitation2005

    • Author(s)
      T. Sawada and K. Ohno
    • Journal Title

      Chem. Phys. Lett. 405

      Pages: 234-239

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Instability of Dianions of Alkali-Metal Clusters2005

    • Author(s)
      Y. Noguchi, S. Ishii, K. Ohno
    • Journal Title

      Mat. Trans 46

      Pages: 1103-1105

    • NAID

      10016438204

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-Principles T-matrix Calculations of Double Ionization Energy Spectra of Atoms and Molecules2005

    • Author(s)
      Y. Noguchi, Y. Kudo, S. Ishii, K. Ohno
    • Journal Title

      J. Chem. Phys 123, 144112

      Pages: 1-5

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] The Entropy of Grafted Polymer Layers in Good Solvent2005

    • Author(s)
      T.Sakamoto, S.Ishii, K.Ohno
    • Journal Title

      J.Metastable & Nanocrystalline Materials 24/25

      Pages: 241-244

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Instability of Dianions of Alkali-Metal Clusters2005

    • Author(s)
      Y.Noguchi, S.Ishii, K.Ohno
    • Journal Title

      Materials Transactions 46・6

      Pages: 1103-1105

    • NAID

      10016438204

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Formation of Po@C_<60>2005

    • Author(s)
      T.Ohtsuki, K.Ohno
    • Journal Title

      Phys.Rev.B 72

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab Initio All-Electron GWCalculation of Lithium Chloride Crystal2005

    • Author(s)
      S. Iwata, S. Ishii, K. Ohno
    • Journal Title

      Mat. Trans 46

      Pages: 1100-1102

    • NAID

      10016438183

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Instability of Dianions of Alkali-Metal Clusters2005

    • Author(s)
      Y. Noguchi, S. Ishii and K. Ohno
    • Journal Title

      Materials Transactions 46・6

      Pages: 1103-1105

    • NAID

      10016438204

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Formation of Po@C_<60>2005

    • Author(s)
      T. Ohtsuki and K. Ohno
    • Journal Title

      Phys. Rev. B 72

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Thermodynamic Properties of Transition Metals Using Face-Centered-Cubic Lattice Model with Renormalized Potentials2005

    • Author(s)
      R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
    • Journal Title

      Materials Transactions 46・6

      Pages: 1127-1130

    • NAID

      10016438357

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Ab Initio All-Electron GW Calculation of Lithium Chlorid Crystal2005

    • Author(s)
      S.Iwata, S.Ishii, K.Ohno
    • Journal Title

      Materials Transactions 46・6

      Pages: 1100-1102

    • NAID

      10016438183

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-Principles Calculations of Hydrogen-Terminated Si(100)2x1 Surface with Missing Dimers2005

    • Author(s)
      S.Masatsuji, Y.Noguchi, S.Ishii, K.Ohno
    • Journal Title

      J.Metastable & Nanocrystalline Materials 24/25

      Pages: 245-248

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Thermodynamic Properties of Transition Metals Using Face-Centered-Cubic Lattice Model with Renormalized Potentials2005

    • Author(s)
      R.Sahara, H.Mizuseki, K.Ohno, Y.Kawazoe
    • Journal Title

      Materials Transactions 46・6

      Pages: 1127-1130

    • NAID

      10016438357

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements2005

    • Author(s)
      S.Oguri, O.Hanado, J.Takeda, M.Furuya, K.Ohno, S.Inoue, T.Kodaira
    • Journal Title

      J.Lumin. 112

      Pages: 283-286

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-Principles Calculations of Hydrogen-Terminated Si(100)2x1 Surface with Missing Dimers2005

    • Author(s)
      S. Masatsuji, Y. Noguchi, S. Ishii and K. Ohno
    • Journal Title

      J. Metastable & Nanocrystalline Materials 24/25

      Pages: 245-248

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Time-dependent density functional approach to chem-ical reactions induced by electronic double excitations2005

    • Author(s)
      T. Sawada, K. Ohno
    • Journal Title

      Chem. Phys. Lett 405

      Pages: 234-239

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] First-Principles T-matrix Calculations of Double Ionization Energy Spectra of Atoms and Molecules2005

    • Author(s)
      Y.Noguchi, Y.Kudo, S.Ishii, K.Ohno
    • Journal Title

      J.Chem.Phys. 123

    • Data Source
      KAKENHI-PROJECT-17310067
  • [Journal Article] Electronic Structures of the TTTA Molecular Crystal2004

    • Author(s)
      M.Furuya, K.Ohno, J.Takeda, Y.Kawazoe
    • Journal Title

      Trans.Mater.Res.Soc.Jpn. 29

      Pages: 3719-3722

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15340094
  • [Journal Article] Band Structure Calculation of TTTA Crystal2003

    • Author(s)
      M.Furuya, K.Ohno, T.Morisato, Y.Kawazoe, J.Takeda
    • Journal Title

      Trans.Mater.Res.Soc.Jpn. 28

      Pages: 911-914

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15340094
  • [Journal Article] Photoinduced Magnetic Phase Transition in an Organic Radical 1,3,5-Trithia-2,4,6-Triazapentalenyl at Room Temperature2003

    • Author(s)
      J.Takeda, M.Imae, O.Hanado, S.Kurita, M.Furuya, K.Ohno, T.Kodaira
    • Journal Title

      Chem.Phys.Lett. 378

      Pages: 456-462

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15340094
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements

    • Author(s)
      S.Oguri, O.Hanado, J.Takeda, M.Furuya, K.Ohno, S.Inoue, T.Kodaira
    • Journal Title

      J.Lumin. (印刷中)

    • Data Source
      KAKENHI-PROJECT-15340094
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements

    • Author(s)
      S.Oguri, O.Hanado, J.Takeda, M.Furuya, K.Ohno, S.Inoue, T.Kodaira
    • Journal Title

      J.Lumin. (印刷中)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15340094
  • [Journal Article] Photoinduced Diamagnetic to Paramagnetic Phase Transition in An Organic Radical Crystal Studied by Microscopic IR Measurements

    • Author(s)
      S.Oguri, O.Hanado, J.Takeda, M.Furuya, K.Ohno, S.Inoue, T.Kodaira
    • Journal Title

      J.Lumin. (印刷中)

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15340094
  • [Presentation] Tolerance behavior of the first-principles phase field method2021

    • Author(s)
      Kaoru Ohno
    • Organizer
      IUMRS-ICA 2020
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Prediction of microstructures of alloys by the first-principles phase field method without thermodynamic empirical parameter2021

    • Author(s)
      Kaoru Ohno
    • Organizer
      Vebleo Scientific Program
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 準粒子理論と密度汎関数理論の関係に関する考察2021

    • Author(s)
      中嶋武,大野かお
    • Organizer
      日本物理学会第76回年次大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 第一原理フェーズフィールド法による合金組織の予測技術2020

    • Author(s)
      大野かおる、Swastibrata Bhattacharyya、佐原亮二、Thi Nu Pham、桑原理一
    • Organizer
      日本金属学会(東工大)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] GW計算の系統的高精度化の研究調査 - G0W0からscLGWΓまで2020

    • Author(s)
      磯部智遥,大野かおる
    • Organizer
      ナノ学会第18回大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Feynman-Dyson振幅による重なり行列の数学的構造2020

    • Author(s)
      中嶋武,大野かおる
    • Organizer
      ナノ学会第18回大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 経路積分分子動力学法を用いたNO3-(H2O)の構造に対する量子効果2020

    • Author(s)
      桑畑和明,大野かおる,立川仁典
    • Organizer
      ナノ学会第18回大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Application of the first-principles phase field method to the study on the effect of Pt concentration on the microstructure of Ti1-xPtx alloys2020

    • Author(s)
      Thi Nu Pham,Kaoru Ohno
    • Organizer
      ナノ学会第18回大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Study of alloying element effects on the microstructure in Ti alloys using first-principles phase field method2020

    • Author(s)
      Thi Nu Pham、Kaoru Ohno, Riichi Kuwahara, Ryoji Sahara, and Swastibrata Bhattacharyya
    • Organizer
      日本金属学会(東工大)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] GW近似の系統的高精度化の研究2020

    • Author(s)
      磯部智遥,大野かおる
    • Organizer
      日本物理学会年次大会(名古屋)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] フォノンスペクトルの第一原理計算に向けた全電子混合基底を用いたDynamical matrixの解析的表式2020

    • Author(s)
      鰐部翔太,大野かおる
    • Organizer
      ナノ学会第18回大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 第一原理フェーズフィールド法2020

    • Author(s)
      大野かおる
    • Organizer
      第7回実験家のためのデータ駆動科学オンラインセミナー(知の創出センター 東北大学)
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 拡張準粒子GW+BSE法によるX線発光スペクトルの第一原理計算2020

    • Author(s)
      青木翼,大野かおる
    • Organizer
      ナノ学会第18回大会
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Electronic Structures and Energy Conversion Efficiency of Heterojunction C60/CH3NH3PbI3 Perovskite Solar Cells2019

    • Author(s)
      Khian-Hooi Chew, Riichi Kuawahara, and Kaoru Ohno
    • Organizer
      10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) (Hong Kong)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Time dependent GW molecular dynamics simulation2019

    • Author(s)
      Thi Nu Pham and Kaoru Ohno
    • Organizer
      Vietnam - Japan Science and Technology Symposium (VJST2019) (Hanoi)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Electromechanical (actuator) properties of MXenes2019

    • Author(s)
      Mohammad Khazaei, Nguyen Tuan Hung, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) (Hong Kong)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Feasibility of the Γ Point Only GW Calculation for Periodic Systems Using TOMBO2019

    • Author(s)
      Kaoru Ohno and Tsubasa Aoki
    • Organizer
      10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) (Hong Kong)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Thermodynamic properties in Ni based alloys using a first principles renormalized potential2019

    • Author(s)
      R. Sahara, T. Osada, S. Bhattacharyya, and Kaoru Ohno
    • Organizer
      TMS2019, 148th Annual Meeting & Exhibition
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] 全電子混合基底法によるスピン軌道相互作用の評価2019

    • Author(s)
      中嶋武,大野かおる
    • Organizer
      ナノ学会第17回大会(鹿児島)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 全電子混合基底法を用いた原子間力及び分子振動計算2019

    • Author(s)
      鰐部翔太,大野かおる
    • Organizer
      日本物理学会秋季大会(岐阜)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 任意の電子励起固有状態計算のための拡張準粒子理論2019

    • Author(s)
      大野かおる,小野頌太,磯部智遥
    • Organizer
      ナノ学会第17回大会(鹿児島)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 全電子混合基底法によるスピン軌道相互作用の評価2019

    • Author(s)
      中嶋武,大野かおる
    • Organizer
      日本物理学会秋季大会(岐阜)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] GW(Γ) calculation for photoabsorption energies of spin polarized systems2019

    • Author(s)
      Tomoharu Isobe, Riichi Kuwahara, and Kaoru Ohno
    • Organizer
      10th Triennial Congress of the International Society for Theoretical Chemical Physics(ノルウェー、トロムソ)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Application of First-Principles Potential Renormalization Theory to a Phase Transition between bcc and fcc Fe crystals2019

    • Author(s)
      Thi Nu Pham, Ryoji Sahara, Riichi Kuwahara, and Kaoru Ohno
    • Organizer
      ナノ学会第17回大会(鹿児島)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] TOMBO Tutorial: Lecture II2019

    • Author(s)
      Kaoru Ohno
    • Organizer
      10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) (Hong Kong)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Ab-initio calculation of interatomic forces and molecularvibrations in all-electrons mixed basis approach2019

    • Author(s)
      Wanibe Shota and Kaoru Ohno
    • Organizer
      10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) (Hong Kong)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 準粒子方程式のエネルギー依存性に関する研究2019

    • Author(s)
      磯部智遥,大野かおる
    • Organizer
      ナノ学会第17回大会(鹿児島)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 多体摂動論に基づいたGW近似の高精度化2019

    • Author(s)
      磯部智遥,大野かおる
    • Organizer
      日本物理学会秋季大会(岐阜)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Spin-orbit coupling in all-electron mixed basis approach2019

    • Author(s)
      Takeru Nakashima and Kaoru Ohno
    • Organizer
      10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10) (Hong Kong)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Design of High Temperature Materials by First Principles Based Thermodynamic Calculations2018

    • Author(s)
      R. Sahara, S. K. Bhattacharya, K. Ueda, T. Narushima, T. Osada, S. Bhattacharyya, and K. Ohno
    • Organizer
      The 16th Discussion Meeting on Thermodynamics of Alloys(TOFA2018)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] 分子と水クラスター間の吸着エネルギーのクラスターサイズ依存性2018

    • Author(s)
      桑畑和明, 大野かおる
    • Organizer
      ナノ学会第16回大会(東大)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 準粒子方程式における自己エネルギーのエネルギー依存性の効果2018

    • Author(s)
      磯部智遥, 大野かおる
    • Organizer
      日本物理学会秋季大会(同志社大)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Excited state force calculation in TOMBO code2018

    • Author(s)
      Yoshihito Maeda and Kaoru Ohno
    • Organizer
      Asian Consortium on Computational Materials Science (ACCMS) - Thema Meeting on Multiscale Modeling of Materials for Sustainable Development (Hanoi, Vietnam)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] First-principles calculations of hyperfine structures of some atoms and radicals2018

    • Author(s)
      Hiroyuki Terada and Kaoru Ohno
    • Organizer
      Asian Consortium on Computational Materials Science (ACCMS) - Thema Meeting on Multiscale Modeling of Materials for Sustainable Development (Hanoi, Vietnam)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] LDA/ oneshot-GW + spin-orbit coupling calculation for Si2p level2018

    • Author(s)
      Takeru Nakashima and Kaoru Ohno
    • Organizer
      Asian Consortium on Computational Materials Science (ACCMS) - Thema Meeting on Multiscale Modeling of Materials for Sustainable Development (Hanoi, Vietnam)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] GW without BSE 法による光吸収スペクトルの計算:GWΓ法の適用2018

    • Author(s)
      磯部智遥, 桑原理一, 大野かおる
    • Organizer
      ナノ学会第16回大会(東大)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] マテリアルズ・インフォマティクスを材料設計開発ツールとするための高信頼性データベース構築2018

    • Author(s)
      川添良幸、水関博志、大野かおる、佐原亮二、本郷研太、南里豪志
    • Organizer
      ナノ学会第16回大会(東大)
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] TOMBO Tutorial: Lecture II2018

    • Author(s)
      Kaoru Ohno and Ryoji Sahara
    • Organizer
      Asian Consortium on Computational Materials Science (ACCMS) - Thema Meeting on Multiscale Modeling of Materials for Sustainable Development (Hanoi, Vietnam)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] Development of First-Principles Phase Field Model2018

    • Author(s)
      Kaoru Ohno, Swastibrata Bhattacharyya, and Ryoji Sahara
    • Organizer
      Asian Consortium on Computational Materials Science (ACCMS) - Thema Meeting on Multiscale Modeling of Materials for Sustainable Development (Hanoi, Vietnam)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の熱力学的諸特性評価2017

    • Author(s)
      佐原亮二、長田俊郎、S. Bhattacharrya、大野かおる
    • Organizer
      第2回CDMSI(ポスト「京」重点課題(7))研究会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Thermodynamic properties in NiAl system by a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      14th International Conference on Creep and Fracture of Engineering Materials and Structures (Creep2017)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の熱力学的諸特性2017

    • Author(s)
      佐原亮二、長田俊郎、S. Bhattacharrya、大野かおる
    • Organizer
      ポスト「京」重点課題(7)サブ課題E「高信頼性構造材料」 H29年度第一回研究会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の状態図計算2017

    • Author(s)
      佐原亮二、長田俊郎、S. Bhattacharrya、大野かおる
    • Organizer
      日本金属学会秋期大会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Thermodynamic properties in Ni-Al system using a face-centered-cubic lattice model with a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      12th Asian Consortium on Computational Materials Science - Virtual Organization
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Thermodynamic properties in Ni-Al system using a face-centered-cubic lattice model with a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      第3回CDMSI(ポスト「京」重点課題(7))シンポジウム
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] 不均一誘電媒質に対する二粒子シュレディンガー方程式:励起子状態への応用2016

    • Author(s)
      小野頌太, 大野かおる
    • Organizer
      日本物理学会春季大会
    • Place of Presentation
      東北学院大学
    • Year and Date
      2016-03-19
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 水クラスターによるH+CO反応の活性化エネルギー変化の第一原理計算2016

    • Author(s)
      桑畑和明, 小野頌太, 大野かおる
    • Organizer
      日本物理学会春季大会
    • Place of Presentation
      東北学院大学
    • Year and Date
      2016-03-19
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] カーボンナノチューブ・亜鉛フタロシアニン有機薄膜太陽電池のエネルギー変換効率のキャップ構造依存性2015

    • Author(s)
      谷川幸晴、小野頌太、大野かおる
    • Organizer
      ナノ学会第12回大会
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料開発2015

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter, 大野かおる、川添良幸
    • Organizer
      ナノ学会第12回大会
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Case Study 2 with TOMBO: Self-Consistent Linearized GWΓ+ Bethe-Salpeter Equation Approach for Small Atomic Systems2015

    • Author(s)
      Riichi Kuwahara, Yoshifumi Noguchi, and Kaoru Ohno
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 銀吸着 Si(111) 表面上の α-6T 分子薄膜の電子状態2015

    • Author(s)
      大野真也、田中博也、田中一馬、高橋和敏、田中正俊
    • Organizer
      ナノ学会第13回大会
    • Place of Presentation
      東北大学片平さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] Au電解質溶液界面における芳香族チオール分子の吸着状態2015

    • Author(s)
      櫻田一平,大野真也,田中正俊
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] Hydrogen adsorption reactions of carbon mono-oxide producing methanol2015

    • Author(s)
      Pham Thi Nu, Kazuaki Kuwahata, Shota Ono, and Kaoru Ohno
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 時間依存密度汎関数理論による分子動力学シミュレーション2015

    • Author(s)
      Pham Thi Nu, 大野かおる
    • Organizer
      ナノ学会第12回大会
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Cyclic Voltammetryと表面反射分光を用いたAu固液界面上の有機分子の 吸着状態解析2015

    • Author(s)
      櫻田一平、藤森佑人、川崎朋晃、大野真也、田中正俊
    • Organizer
      ナノ学会第13回大会
    • Place of Presentation
      東北大学片平さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] A first-principles calculation of van der Waals interaction between rare-gas atoms2015

    • Author(s)
      Toru Shoji, Riichi Kuwahara, Shota Ono, and Kaoru Ohno
    • Organizer
      第25回日本MRS年次大会
    • Place of Presentation
      横浜市開港記念会館他
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Application of extended quasiparticle equation to isolated atoms2015

    • Author(s)
      Tomoharu Isobe, Shota Ono, and Kaoru Ohno
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] TOMBO Ver.2 Tutorial2015

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 氷表面における分子吸着エネルギーの被覆率依存性2015

    • Author(s)
      桑畑和明、小野頌太、桑原理一、大野かおる
    • Organizer
      ナノ学会第12回大会
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Potential-dependent adsorption and reaction of cysteine molecules on gold surfaces in electrolyte solution by surface reflectance spectroscopy2015

    • Author(s)
      S. Ohno, I. Sakurada, Y. Fujimori, N. Ninomiya, Y. Noda, K. Ohno, T. Sekiya, M. Tanaka
    • Organizer
      10th International Symposium on Atomic Level Characterizations for New Materials and Devices
    • Place of Presentation
      Kunibiki Messe, Matsue
    • Year and Date
      2015-10-25
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] GW+Bethe-Salpeter方程式によるXANESスペクトルの第一原理計算2015

    • Author(s)
      青木翼、小野頌太、大野かおる
    • Organizer
      ナノ学会第12回大会
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] To increase usability of TOMBO: Introduction of Pipeline Pilot and TOMBO Interface2015

    • Author(s)
      Riichi Kuwahara and Kaoru Ohno
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 銀吸着シリコン表面上のオリゴチオフェン薄膜の内殻電子状態の解析2015

    • Author(s)
      大野真也, 田中一馬, 田中博也, 高橋和敏, 田中正俊
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] Electronic structure of sexithiophene ultrathin films grown on passivated Si(001) surfaces2015

    • Author(s)
      S. Ohno, H. Tanaka, K. Tanaka, K. Takahashi, M. Tanaka
    • Organizer
      31th European Conference on Surface Science
    • Place of Presentation
      International Convention Center of Barcelona, Barcelona
    • Year and Date
      2015-08-31
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] Potential-dependent adsorption states of aromatic thiol molecules at liquid-Au interface studied by surface reflectance spectroscopy2015

    • Author(s)
      I. Sakurada, S. Ohno, M. Tanaka
    • Organizer
      31th European Conference on Surface Science
    • Place of Presentation
      International Convention Center of Barcelona, Barcelona
    • Year and Date
      2015-08-31
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] カーボンナノチューブの第一原理電子状態計算:キャップ幾何構造と局在準位の相関関係2015

    • Author(s)
      谷川幸晴, 小野頌太, 桑原理一, 大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 湾曲グラフェンにおける水素分子解離吸着反応の活性化エネルギー計算2015

    • Author(s)
      野田祐輔, 小野頌太, 大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Momentum-dependent band spin splitting in MnO2 crystals: A first-principles investigation2015

    • Author(s)
      Yusuke Noda, Kaoru Ohno, and Shinichiro Nakamura
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] H+COと2H+COの活性化エネルギーの比較2015

    • Author(s)
      桑畑和明, Pham Thi Nu, 桑原理一, 小野頌太, 大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] The first-principles mapping onto the phase field crystal model2015

    • Author(s)
      Swastibrata Bhattacharyya, Kaoru Ohno, and Ryoji Sahara
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Ab initio calculation of CO + H reaction on H2O cluster2015

    • Author(s)
      Kazuaki Kuwahata, Shota Ono, and Kaoru Ohno
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 2H + CO → H2CO studied by ab initio calculation2015

    • Author(s)
      Kazuaki Kuwahata, Shota Ono, and Kaoru. Ohno
    • Organizer
      第25回日本MRS年次大会
    • Place of Presentation
      横浜市開港記念会館他
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Derivation of phase field crystal model from the first-principles2015

    • Author(s)
      Swastibrata Bhattacharyya, Kaoru Ohno, and Ryoji Sahara
    • Organizer
      第25回日本MRS年次大会
    • Place of Presentation
      横浜市開港記念会館他
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Molecular dynamics simulation using time-dependent density functional theory2015

    • Author(s)
      Pham Thi Nu, ryoji Sahara, Hirosji Mizuseki, Shota. Ono, and Kaoru Ohno
    • Organizer
      第25回日本MRS年次大会
    • Place of Presentation
      横浜市開港記念会館他
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Implementation of hyperfine tensor in TOMBO Ver.22015

    • Author(s)
      Shota Kanno, Shota Ono, and Kaoru Ohno,
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 電解質溶液中におけるAu表面上のシステイン分子の吸着状態解析2014

    • Author(s)
      藤森佑人、二之宮成樹、大野真也、野田祐輔、大野かおる、関谷隆夫、田中正俊
    • Organizer
      日本物理学会第69回年次大会
    • Place of Presentation
      東海大学湘南キャンパス
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] 原子球内ポテンシャル計算の高速化 ―高速高精度フーリエ変換法の開発 ―2014

    • Author(s)
      小野頌太、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      東海大学、湘南キャンパス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 電解質溶液中におけるAu表面上のシステイン分子の吸着状態解析2014

    • Author(s)
      藤森佑人、二之宮成樹、大野真也、野田祐輔、大野かおる、関谷隆夫、田中正俊
    • Organizer
      日本物理学会
    • Place of Presentation
      東海大学、湘南キャンパス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 電解質溶液中におけるAu表面上のシステイン分子の吸着状態解析2014

    • Author(s)
      藤森佑人、二之宮成樹、大野真也、野田祐輔、大野かおる、関谷隆夫、田中正俊
    • Organizer
      日本物理学会
    • Place of Presentation
      東海大学、湘南キャンパス
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 原子球内ポテンシャル計算の高速化 ―高速高精度フーリエ変換法の開発 ―2014

    • Author(s)
      小野頌太、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      東海大学、湘南キャンパス
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Thermoelectric properties of capped one-dimensional peanut-shped fullerene polymers2013

    • Author(s)
      Yusuke Noda, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science - Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Electronic structure of titanium dioxide with oxygen vacancies and Nb doping2013

    • Author(s)
      Ming Zhang, Shota Ono, and Kaoru Ohno
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Tunable Seebeck Coefficient in Monolayer Graphene Under Periodic Potentials2013

    • Author(s)
      Shota Ono, Ming Zhang, Yusuke Noda, and Kaoru Ohno
    • Organizer
      The 32nd International Conference on Thermoelectrics
    • Place of Presentation
      神戸国際会議場
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 全電子混合基底第一原理プログラムTOMBOの拡張2013

    • Author(s)
      松木隆紀、宇川恭秀、小野頌太、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 第一原理計算ソフトTOMBOの電子構造計算の高速化 ―Chebyshev多項式を用いた行列要素計算 ―2013

    • Author(s)
      小野頌太、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      徳島大学、南常三島キャンパス
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Accurate First-Principles Calculation of Electronic Excitation Energy Spectra of Molecules and Nanoclusters --- Quasiparticle Wave Function Approach in Many-Body Perturbation Theory ---2013

    • Author(s)
      Kaoru Ohno
    • Organizer
      The 4 th International Workshop on Nanotechnology and Application (IWNA 2013)
    • Place of Presentation
      Vung Tau, Vietnam
    • Invited
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Estimation of figure of merit for one-dimensional peanut-shaped fullerene polymers2013

    • Author(s)
      Yusuke Noda, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Structure of α-sexithiophene thin films grown on semiconductor surfaces studied by near edge X-ray absorption fine structure2013

    • Author(s)
      K. Hiraga, H. Toyoshima, J. Nakajima, H. Tanaka, S. Ohno, M. Tanaka, T. Sekiguchi, N. Hirao, I. Shimoyama and Y. Baba
    • Organizer
      12th Int. Conf. Atomically Controlled Surfaces, Interfaces and Nanostructures
    • Place of Presentation
      Tsukuba International Congress Center, Tsukuba
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] 第一原理計算ソフトTOMBOの電子構造計算の高速化 ―Chebyshev多項式を用いた行列要素計算 ―2013

    • Author(s)
      小野頌太、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      徳島大学、南常三島キャンパス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Non-adiabatic simulation of simple chemical reaction in time-dependent density functional theory2013

    • Author(s)
      Pham Thi Nu, and Ohno Kaoru
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 孤立8員環を含むナノカーボン材料の電子状態解析2013

    • Author(s)
      野田祐輔、小野頌太、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] ステップ型周期ポテンシャルが印加されたグラフェン超格子のゼーベック係数評価2013

    • Author(s)
      小野頌太、張明、野田祐輔、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      広島大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Thermoelectric properties of capped one-dimensional peanut-shped fullerene polymers2013

    • Author(s)
      Yusuke Noda, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science --- Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Light Harvesting and Charge Separation Dynamics at Molecular Heterojunctions2013

    • Author(s)
      Kaoru Ohno
    • Organizer
      Asian Consortium on Computational Materials Science - Working Group Meeting on Computational Design of Materials for Energy Conversion and Storage
    • Place of Presentation
      台北、台湾
    • Invited
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] The almighty first-principles program, TOMBO2013

    • Author(s)
      K. Ohno, R. Kuwahara, S. Ono, Y. Noguchi, R. Sahara, H. Mizuseki, and Y. Kawazoe
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Invited
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] GW calculation of electronic structure of titanium dioxide with Nb doping using TOMBO2013

    • Author(s)
      Ming Zhang, Shota Ono, and Kaoru Ohno
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science - Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Development of the all-electron mixed basis program, TOMBO2013

    • Author(s)
      K. Ohno, R. Kuwahara, S. Ono, Y. Noguchi, R. Sahara, H. Mizuseki, and Y. Kawazoe
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science - Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Low-Temperature, Solution-Based, Scalable Synthesis of Sb2Te3 Nanoparticles with an Enhanced Power Factor2013

    • Author(s)
      Heng Quan Yang, Lei Miao, Ming Zhang, Kaoru Ohno, Jian Hua Zhou, Hui Gu, Yang Shen, and Hong Lin
    • Organizer
      The 32nd International Conference on Thermoelectrics
    • Place of Presentation
      神戸国際会議場
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] GW calculation of electronic structure of titanium dioxide with oxygen vacancies and Nb doping2013

    • Author(s)
      張明、小野頌太、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] GW calculation of electronic structure of titanium dioxide with oxygen vacancies and Nb doping2013

    • Author(s)
      張明、小野頌太、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Tunable Seebeck Coefficient in Monolayer Graphene Under Periodic Potentials2013

    • Author(s)
      Shota Ono, Ming Zhang, Yusuke Noda, and Kaoru Ohno
    • Organizer
      The 32nd International Conference on Thermoelectrics
    • Place of Presentation
      神戸国際会議場
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Acceleration of three-dimensional Fourier transformation to obtain one-dimensional radial potential in TOMBO2013

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science --- Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Thermoelectric properties of one-dimensional peanut-shaped fullerene polymers with eight-membered rings2013

    • Author(s)
      Yusuke Noda, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      The 32nd International Conference on Thermoelectrics
    • Place of Presentation
      神戸国際会議場
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Low-Temperature, Solution-Based, Scalable Synthesis of Sb2Te3 Nanoparticles with an Enhanced Power Factor2013

    • Author(s)
      Heng Quan Yang, Lei Miao, Ming Zhang, Kaoru Ohno, Jian Hua Zhou, Hui Gu, Yang Shen, and Hong Lin
    • Organizer
      The 32nd International Conference on Thermoelectrics
    • Place of Presentation
      神戸国際会議場
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] lectronic structure of titanium dioxide with oxygen vacancies and Nb doping2013

    • Author(s)
      Ming Zhang, Shota Ono, and Kaoru Ohno
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Non-adiabatic simulation of simple chemical reaction in time-dependent density functional theory2013

    • Author(s)
      Pham Thi Nu, and Ohno Kaoru
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 孤立8員環欠陥による1次元ピーナッツ型フラーレンポリマーと非平面状グラフェンの傾斜Diracコーン形成2013

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      広島大学
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 全電子混合基底第一原理プログラムTOMBOの拡張2013

    • Author(s)
      松木隆紀、宇川恭秀、小野頌太、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Light Harvesting and Charge Separation Dynamics at Molecular Heterojunctions2013

    • Author(s)
      Kaoru Ohno
    • Organizer
      Asian Consortium on Computational Materials Science - Working Group Meeting on Computational Design of Materials for Energy Conversion and Storage
    • Place of Presentation
      台北、台湾
    • Invited
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Thermoelectric properties of one-dimensional peanut-shaped fullerene polymers with eight-membered rings2013

    • Author(s)
      Yusuke Noda, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      The 32nd International Conference on Thermoelectrics
    • Place of Presentation
      神戸国際会議場
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料設計2013

    • Author(s)
      佐原亮二、土谷浩一、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Adsortion of organic molecules on Au(110) surface in electrolyte solution studied by means of surface differential reflectance spectroscopy2013

    • Author(s)
      Y. Fujimori, N. Ninomiya, S. Ohno, M. Tanaka and T. Sekiya
    • Organizer
      12th Int. Conf. Atomically Controlled Surfaces, Interfaces and Nanostructures
    • Place of Presentation
      Tsukuba International Congress Center, Tsukuba
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] 全電子混合基底法による水酸化鉄IIの生成ダイナミクス2013

    • Author(s)
      佐田健太郎、大野かおる
    • Organizer
      日本金属学会
    • Place of Presentation
      金沢大学
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Acceleration of three-dimensional Fourier transformation to obtain one-dimensional radial potential in TOMBO2013

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science - Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーの熱電性能指数の計算2013

    • Author(s)
      野田祐輔、Keivan Esfarjani, 大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      徳島大学、南常三島キャンパス
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 孤立8員環を含むナノカーボン材料の電子状態解析2013

    • Author(s)
      野田祐輔、小野頌太、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Development of the all-electron mixed basis program, TOMBO2013

    • Author(s)
      K. Ohno, R. Kuwahara, S. Ono, Y. Noguchi, R. Sahara, H. Mizuseki, and Y. Kawazoe
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science --- Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Invited
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 単層グラフェンの熱電性能指数における超格子ポテンシャル印加効果2013

    • Author(s)
      小野頌太、張明、野田祐輔、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Efficient self-consistent density functional theory calculation using the Chebyshev polynomials2013

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Estimation of figure of merit for one-dimensional peanut-shaped fullerene polymers2013

    • Author(s)
      Yusuke Noda, Keivan Esfarjani, and Kaoru Ohno
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Accurate First-Principles Calculation of Electronic Excitation Energy Spectra of Molecules and Nanoclusters --- Quasiparticle Wave Function Approach in Many-Body Perturbation Theory ---2013

    • Author(s)
      Kaoru Ohno
    • Organizer
      The 4 th International Workshop on Nanotechnology and Application (IWNA 2013)
    • Place of Presentation
      Vung Tau, Vietnam
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] GW calculation of electronic structure of titanium dioxide with Nb doping using TOMBO2013

    • Author(s)
      Ming Zhang, Shota Ono, and Kaoru Ohno
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science --- Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 全電子混合基底法による水酸化鉄IIの生成ダイナミクス2013

    • Author(s)
      佐田健太郎、大野かおる、小野頌太
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 電解質溶液中のAu表面上に吸着したピリジン分子の表面反射分光2013

    • Author(s)
      二之宮成樹、藤森佑人、川崎朋晃、田中正俊、大野真也、関谷隆夫
    • Organizer
      2013年日本物理学会秋季大会
    • Place of Presentation
      徳島大学常三島キャンパス
    • Data Source
      KAKENHI-PROJECT-25286016
  • [Presentation] 全電子混合基底法による水酸化鉄IIの生成ダイナミクス2013

    • Author(s)
      佐田健太郎、大野かおる、小野頌太
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] The almighty first-principles program, TOMBO2013

    • Author(s)
      K. Ohno, R. Kuwahara, S. Ono, Y. Noguchi, R. Sahara, H. Mizuseki, and Y. Kawazoe
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] Efficient self-consistent density functional theory calculation using the Chebyshev polynomials2013

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 全電子混合基底法による水酸化鉄IIの生成ダイナミクス2013

    • Author(s)
      佐田健太郎、大野かおる
    • Organizer
      日本金属学会
    • Place of Presentation
      金沢大学
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 孤立8員環欠陥による1次元ピーナッツ型フラーレンポリマーと非平面状グラフェンの傾斜Dirac コーン形成2013

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      広島大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Linear-dispersive and flat bands near the Fermi level in fused fullerene polymers2013

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS-WGM
    • Place of Presentation
      Taipei, Jan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 単層グラフェンの熱電性能指数における超格子ポテンシャル印加効果2013

    • Author(s)
      小野頌太、張明、野田祐輔、大野かおる
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーの熱電性能指数の計算2013

    • Author(s)
      野田祐輔、Keivan Esfarjani, 大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      徳島大学、南常三島キャンパス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料設計2013

    • Author(s)
      佐原亮二、土谷浩一、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PUBLICLY-25104713
  • [Presentation] テップ型周期ポテンシャルが印加されたグラフェン超格子のゼーベック係数評価2013

    • Author(s)
      小野頌太、張明、野田祐輔、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      広島大学
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Linear-dispersive and flat bands near the Fermi level in fused fullerene polymers2013

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS-WGM
    • Place of Presentation
      Taipei
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Linear-dispersive and flat bands in band structures of one-dimensional peanut-shaped fullerene polymers2012

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] A systematic investigation of electron capture decay rate of 7Be encapsulated in carbon nanostructures2012

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Organizer
      IUMRS-ICEM
    • Place of Presentation
      Yokohama
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Optical absorption spectra of CdSe clusters by all-electron first-principles GW+Bethe-Salpeter method2012

    • Author(s)
      Yoshifumi Noguchi, Osamu Sugino, Momoko Nagaoka, Soh Ishii, Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2012-02-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] All-electron Mixed Basis Approach as An Accurate First-Principles Method2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      KIM-JIM Conference
    • Place of Presentation
      Changwon,Korea
    • Year and Date
      2012-10-25
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] All-electron Mixed Basis Approach as An Accurate First-Principles Method2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      KIM-JIM Symposium (10/25) at 2012 Fall Conference of the Korean Institute of Metals and Materials
    • Place of Presentation
      Changwong, Korea
    • Invited
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーのディラックコーン2012

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      ナノ学会第10回大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Adiabatic and non-adiabatic quantum molecular dynamics approaches to chemical reaction2012

    • Author(s)
      Nu Thi Pham and Kaoru Ohno
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Optical absorption spectra of CdSe clusters by all-electron first-principles GW+Bethe-Salpeter method2012

    • Author(s)
      Yoshifumi Noguchi, Osamu Sugino, Momoko Nagaoka, Soh Ishii, and Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Adiabatic and non-adiabatic quantum molecular dynamics approaches to chemical reactions2012

    • Author(s)
      Nu Thi Pham and Kaoru Ohno
    • Organizer
      IUMRS-ICEM2012
    • Place of Presentation
      Yokohama
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法プログラム TOMBO の開発と水素貯蔵材料への応用2012

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第10回大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] All-electron Mixed Basis Approach For Accurate First Principles Calculations2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      東北大学金属材料研究所([Invited Talk])
    • Year and Date
      2012-02-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Linear-dispersive and flat bands in band structures of one-dimensional peanut-shaped fullerene polymers2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      The 7th General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (ACCMS-VO7)
    • Place of Presentation
      仙台
    • Invited
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Carrier concentration-dependent thermoelectric properties of titanium dioxide from Boltzmann transport calculations2012

    • Author(s)
      Ming Zang, Kaoru Ohno, and Lei Miao
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] First-principles Study of Geometrical and Electronic Structures of Oxygen Vacancies in TiO_22012

    • Author(s)
      Ming Zhang, Kaoru Ohno, and Lei Miao
    • Organizer
      IUMRS-ICEM2012
    • Place of Presentation
      Yokohama
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーにおける Dirac コーンの計算科学的研究2012

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Electronic properties of one-dimensional peanut-shaped fullerene polymers with generalized Stone-Wales transformation2012

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Si高指数面熱酸化過程における温度依存性の解析2012

    • Author(s)
      安部壮祐, 大野真也, 兼村瑠威, 吉越章隆, 寺岡有殿, 尾形祥一, 安田哲二, 田中正俊
    • Organizer
      第59回応用物理学関係連合講演会
    • Place of Presentation
      早稲田大学,東京
    • Year and Date
      2012-03-17
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Linear-dispersive and flat bands in band structures of one-dimensional peanut-shaped fullerene polymers2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      The 7th General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (ACCMS-VO7)
    • Place of Presentation
      仙台
    • Invited
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Linear-dispersive and flat bands in band structures of one-dimensional peanut-shaped fullerene polymers2012

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Development of all-electron mixed-basis ab initio program TOMBO and application for hydrogen storage materials2012

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] カーボンナノ構造に内包されたベリリウム同位元素の半減期減少の可能性2012

    • Author(s)
      小野頌太,桑原理一,大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Optical absorption spectra of CdSe clusters by all-electron first-principles GW+Bethe-Salpeter method2012

    • Author(s)
      Yoshifumi Noguchi, Osamu Sugino, Momoko Nagaoka, Soh Ishii, and Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 超音速分子線を用いたSi初期酸化促進反応における面方位依存性の解析2012

    • Author(s)
      大野真也, 井上慧, 百瀬辰哉, 兼村瑠威, 吉越章隆, 寺岡有殿, 尾形祥一, 安田哲二, 田中正俊
    • Organizer
      第25回日本放射光学会年会放射光科学合同シンポジウム
    • Place of Presentation
      鳥栖市民文化会館・中央公民館,佐賀
    • Year and Date
      2012-01-08
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Electronic properties of one-dimensional peanut-shaped fullerene polymers with generalized Stone-Wales transformation2012

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Monte Carlo Simulations for Real Materials2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      6th Int. Conf. on Multiscale Materials Modeling, MMM2012
    • Place of Presentation
      Singapore
    • Invited
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 表面修飾Si(001)表面上のα-sexithiophene分子の構造と電子状態2012

    • Author(s)
      平賀健太, 豊島弘明, 大野真也, 小澤健一, 間瀬一彦, 向井孝三, 吉信淳, 田中正俊
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      関西学院大学,兵庫
    • Year and Date
      2012-03-26
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Carrier concentration-dependent thermoele-ctric properties of titanium dioxide from Boltzmann transport calculations2012

    • Author(s)
      Ming Zang, Kaoru Ohno, and Lei Miao
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法プログラムTOMBOの開発と水素貯蔵材料への応用2012

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第10回大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Half-life of the ^7 Be atom encapsulated in carbon nanotubes: A first-principles study2012

    • Author(s)
      Shota Ono, Riichi Kuwahara and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Development of all-electron mixed-basis ab initio program TOMBO and application for hydrogen storage materials2012

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, Yoshiyuki Kawazoe
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2012-02-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Half-life of the ^7Be atom encapsulated in carbon nanotubes:A first-principles study2012

    • Author(s)
      Shota Ono, Riichi Kuwahara and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Monte Carlo Simulations for Real Materials2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      6^th Int. Conf. on Multiscale Materials Modeling
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] All-electron Mixed Basis Approach as An Accurate First-Principles Method2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      KIM-JIM Symposium (10/25) at 2012 Fall Conference of the Korean Institute of Metals and Materials
    • Place of Presentation
      Changwong, Korea
    • Invited
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Monte Carlo Simulations for Real Materials2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      6^<th> Int. Conf. on MultiscaleMaterials Modeling
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Development of all-electron mixed-basis ab initio program TOMBO and application for hydrogen storage materials2012

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 表面修飾Si(001)表面上のα-sexithiophene分子の構造と電子状態2012

    • Author(s)
      平賀健太,豊島弘明,大野真也,小澤健一,間瀬一彦,向井孝三,吉信淳,田中正俊
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      関西学院大学
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Adiabaticand non-adiabatic quantum moleculardynamics approaches to chemical reaction2012

    • Author(s)
      Nu Thi Pham and Kaoru Ohno
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] A systematic investigation of electron capture decay rate of 7Be encapsulated in carbon nanostructures2012

    • Author(s)
      Shota Ono and Kaoru Ohno
    • Organizer
      IUMRS-ICEM
    • Place of Presentation
      Yokohama
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーにおけるDiracコーンの計算科学的研究2012

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles molecular dynamics simulations using prallelized TOMBO: 2H + CO yielding HCOOH2012

    • Author(s)
      Mikihiro Ikeoka and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles molecular dynamics simulations using prallelized TOMBO: 2H+CO_2 yielding HCOOH2012

    • Author(s)
      Mikihiro Ikeoka and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーのディラックコーン2012

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      ナノ学会第10回大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles Study of Geometrical and Electronic Structures of Oxygen Vacancies in TiO_22012

    • Author(s)
      Ming Zhang, Kaoru Ohno, and Lei Miao
    • Organizer
      IUMRS-ICEM2012
    • Place of Presentation
      Yokohama
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] カーボンナノ構造に内包されたベリリウム同位元素の半減期減少の可能性2012

    • Author(s)
      小野頌太,桑原理一,大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Electronic properties of one-dimensional peanut-shaped fullerene polymers with generalized Stone-Wales transformation2012

    • Author(s)
      Yusuke Noda, Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2012-02-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] All-electron Mixed Basis Approach For Accurate First Principles Calculations2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] All-electron Mixed Basis Approach For Accurate First Principles Calculations2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS-VO6
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] All-electron Mixed Basis Approach as An Accurate First-Principles Method2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      KIM-JIM Conference
    • Place of Presentation
      Changwon, Korea
    • Year and Date
      2012-10-25
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 超音速分子線を用いたSi高指数面初期酸化過程の解析II2012

    • Author(s)
      大野真也, 兼村瑠威, 安部壮祐, 井上慧, 百瀬辰哉, 吉越章隆, 寺岡有殿, 尾形祥一, 安田哲二, 田中正俊
    • Organizer
      第59回応用物理学関係連合講演会
    • Place of Presentation
      早稲田大学,東京
    • Year and Date
      2012-03-17
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Monte Carlo Simulations for Real Materials2012

    • Author(s)
      Kaoru Ohno
    • Organizer
      6th Int. Conf. on Multiscale Materials Modeling, MMM2012
    • Place of Presentation
      Singapore
    • Invited
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Efficient self-consistent GW program based on the all-electron mixed basis approach2012

    • Author(s)
      Riichi Kuwahara, Yoshifumi Noguchi, and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Efficient self-consistent GW program based on the all-electron mixed basis approach2012

    • Author(s)
      Riichi Kuwahara, Yoshifumi Noguchi, and Kaoru Ohno
    • Organizer
      ACCMS-VO7
    • Place of Presentation
      Sendai
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Adiabatic and non-adiabatic quantum molecular dynamics approaches to chemical reactions2012

    • Author(s)
      Nu Thi Pham and Kaoru Ohno
    • Organizer
      IUMRS-ICEM2012
    • Place of Presentation
      Yokohama
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Monte Carlo Simulation of Rubber Elasticity2011

    • Author(s)
      Yuto Toriumi and Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 第一原理計算によるピーナッツ型フラーレンポリマーの電子状態解析2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      富山
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-Principles Calculations of One-Dimensional Peanut-Shaped Fullerene Polymers2011

    • Author(s)
      Yusuke Noda, Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      シンガポール
    • Year and Date
      2011-09-07
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-Principles Molecular Dynamics Simulations of 2H + CO_2 Yielding HCOOH2011

    • Author(s)
      Mikihiro Ikeoka and Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 超音速分子線を用いたSi高指数面初期酸化過程の解析2011

    • Author(s)
      大野真也, 井上慧, 百瀬辰哉, 兼村瑠威, 吉越章隆, 寺岡有殿, 尾形祥一, 安田哲二, 田中正俊
    • Organizer
      第72回応用物理学会学術講演会
    • Place of Presentation
      山形大学
    • Year and Date
      2011-08-30
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] 表面修飾Si(001)表面上のα-sexitiophene分子の吸着構造の解析2011

    • Author(s)
      豊島弘明, 井上慧, 大野真也, 向井孝三, 吉信淳, 横山崇, 田中正俊
    • Organizer
      表面・界面スペクトロスコピー2011
    • Place of Presentation
      マホロバマインズ三浦,神奈川
    • Year and Date
      2011-12-03
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Si(113)表面上におけるH原子吸着過程のリアルタイム計測2011

    • Author(s)
      安部壮祐, 大野真也, 鈴木隆則, 田中正俊
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      富山大学
    • Year and Date
      2011-09-23
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Tohoku Mixed Basis Orbitals ab initio Program (TOMBO)2011

    • Author(s)
      Ryoji Sahara, Marcel F. Sluiter, Kaoru Ohno, Hiroshi Mizuseki, and Yoshiyuki Kawazoe
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Year and Date
      2011-09-06
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 第一原理計算によるピーナッツ型フラーレンポリマーの電子状態解析2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      富山大学
    • Year and Date
      2011-09-21
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法による自己無撞着GW計算プログラムの開発2011

    • Author(s)
      桑原理一、野口良史、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      富山大学
    • Year and Date
      2011-09-22
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Monte Carlo Simulation of Rubber Elastici2011

    • Author(s)
      Yuto Toriumi, Kaoru Ohno
    • Organizer
      Monte Carlo Simulation of Rubber Elasticity ACCMS6
    • Place of Presentation
      シンガポール
    • Year and Date
      2011-09-07
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 水素原子と二酸化炭素の全電子混合基底第一原理分子動力学シミュレーション2011

    • Author(s)
      池岡幹裕、大野かおる
    • Organizer
      ナノ学会第9会大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-06-02
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法による自己無撞着GW計算プログラムの開発2011

    • Author(s)
      桑原理一、野口良史、大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      富山
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 幾何学的特徴に対するピーナッツ型フラーレンポリマーの電子物性依存性2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市開港記念会館他
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Development of All-Electron Mixed-Basis ab intio Program TOMBO and Application for Developing Hydrogen Storage Materials2011

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] All-Electron Mixed Basis Approach - DFT and Beyond2011

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Real-time measurement of hydrogen adsorption process on Si(113) by means of reflectance difference spectroscopy2011

    • Author(s)
      S.Abe, S.Ohno, T.Suzuki, M.Tanaka
    • Organizer
      6 th International Symposium on Surface Science
    • Place of Presentation
      タワーホール船堀,東京
    • Year and Date
      2011-12-13
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] 第一原理計算によるピーナッツ型フラーレンポリマーの電子状態解析2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      富山
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーの電子状態2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      ナノ学会第9会大会
    • Place of Presentation
      北海道大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Monte Carlo Simulation of Rubber Elasticity2011

    • Author(s)
      Yuto Toriumi and Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーの電子状態2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      ナノ学会第9会大会
    • Place of Presentation
      北海道大学
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Development of All-Electron Mixed-Basis ab intio Program TOMBO and Application for Developing Hydrogen Storage Materials2011

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Development of All-Electron Mixed-Basis ab intio Program TOMBO and Application for Developing Hydrogen Storage Materials2011

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, Yoshiyuki Kawazoe
    • Organizer
      ACCMS6
    • Place of Presentation
      シンガポール
    • Year and Date
      2011-09-07
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First Principles Molecular Dynamics Simu- lations of 2H + CO_2 Yielding HCOOH2011

    • Author(s)
      Mikihiro Ikeoka and Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 幾何学的特徴に対するピーナッツ型フラーレンポリマーの電子物性依存性2011

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市開港記念会館他
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] Tohoku Mixed Basis Orbitals ab initio Program (TOMBO)2011

    • Author(s)
      Ryoji Sahara, Marcel F. Sluiter, Kaoru Ohno, Hiroshi Mizuseki, and Yoshiyuki Kawazoe
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] First-Principles Calculations of One-Dimensional Peanut-Shaped Fullerene Polymers2011

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] [Short Course II] Tohoku Mixed Basis Orbitals ab initio Program (TOMBO)2011

    • Author(s)
      Ryoji Sahara, Marcel F. Slviter,, Kaoru Ohno, Hiroshi Mizuseki, Yoshiyuki Kawazoe
    • Organizer
      ACCMS6
    • Place of Presentation
      シンガポール([Invited Lecture])
    • Year and Date
      2011-09-06
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] All-Electron Mixed Basis Approach-DFT and Beyond2011

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      シンガポール([Invited Talk])
    • Year and Date
      2011-09-09
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 水素原子と二酸化炭素の全電子混合基底第一原理分子動力学シミュレーション2011

    • Author(s)
      池岡幹裕、大野かおる
    • Organizer
      ナノ学会第9会大会
    • Place of Presentation
      北海道大学
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] All-Electron Mixed Basis Approach-DFT and Beyond2011

    • Author(s)
      Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-Principles Molecular Dynamics Simulations of 2H+CO_2 Yielding HCOOH2011

    • Author(s)
      Mikihiro Ikeoka, Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      シンガポール
    • Year and Date
      2011-09-07
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 水素原子と二酸化炭素の全電子混合基底第一原理分子動力学シミュレーション2011

    • Author(s)
      池岡幹裕、大野かおる
    • Organizer
      ナノ学会第9回大会
    • Place of Presentation
      北海道大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法による自己無撞着GW計算プログラムの開発2011

    • Author(s)
      桑原理一、野口良史、大野かおる
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      富山
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 表面反射分光によるSi(001)表面上のα-sexithiophene分子配列構造の解析2011

    • Author(s)
      豊島弘明,井上彗,大野真也,横山崇,田中正俊
    • Organizer
      第58回応用物理学関係連合講演会
    • Place of Presentation
      神奈川工科大学
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] 全電子混合基底法プログラムTOMBOの開発と水素貯蔵材料への応用2011

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第9会大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-06-02
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 表面修飾Si(001)表面上のオリゴチオフェン分子の構造と電子状態2011

    • Author(s)
      豊島弘明, 井上慧, 大野真也, 向井孝三, 吉信淳, 横山崇, 田中正俊
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      富山大学
    • Year and Date
      2011-09-23
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] 全電子混合基底法プログラムTOMBOの開発と水素貯蔵材料への応用2011

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第9回大会
    • Place of Presentation
      北海道大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法プログラムTOMBOの開発と水素貯蔵材料への応用2011

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第9会大会
    • Place of Presentation
      北海道大学
    • Data Source
      KAKENHI-PROJECT-23654115
  • [Presentation] 表面修飾Si(001)表面上のα-sexthiophene分子の構造と電子状態の解析2011

    • Author(s)
      豊島弘明, 井上慧, 向井孝三, 吉信淳, 大野真也, 横山崇, 田中正俊
    • Organizer
      第52回真空に関する連合講演会
    • Place of Presentation
      学習院大学
    • Year and Date
      2011-11-18
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] First Principles Calculations of One- Dimensional Peanut-Shaped Fullerene Polymers2011

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      ACCMS6
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 金属性ピーナッツ型フラーレンポリマーの電子状態2010

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      ナノ学会第8回大会
    • Place of Presentation
      分子研(岡崎市)
    • Year and Date
      2010-05-14
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 水吸着Si(100)表面における酸化促進反応の解析2010

    • Author(s)
      新江定憲, 豊島弘明, 大野真也, 鈴木隆則, 田中正俊
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2010-09-24
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Development of the all-electron mixed basis Hartree-Fock calculation code satisfying virial theorem2010

    • Author(s)
      Yoichi Tadokoro, Soh Ishii, Yoshifumi Noguchi, Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization(ACCMS-VO)
    • Place of Presentation
      Tohoku Univ.
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法による二次摂動計算プログラムの開発と孤立原子への応用2010

    • Author(s)
      田所洋一、石井聡、野口良史、大野かおる
    • Organizer
      日本物理学会(大阪府立大)
    • Place of Presentation
      大阪府堺市
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles GW+Bethe-Salpeter calculation of photoabsorption spectra for small CdSe clusters2010

    • Author(s)
      Momoko Nagaoka, Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization(ACCMS-VO)
    • Place of Presentation
      Tohoku Univ.
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Monte Carlo simulations of a rubber model cross-linked with ideal chains2010

    • Author(s)
      鳥海優人、大野かおる
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市開港記念会館
    • Year and Date
      2010-12-22
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Theoretical study of hydrogen storage materials using all-electron mixed-basis program TOMBO2010

    • Author(s)
      Ryoichi Sahara, Hiroshi Mizuseki, Marcel F.Sluiter, Kaoru Ohno, Yoshiyuki Kawazce
    • Organizer
      The Fifth General Meeting of Asian Consortium of Computational Materials Science(ACCMS)-VO
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2010-12-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles GW+Bethe-Salpeter calculation of photoabsorption spectra of Na clusters2010

    • Author(s)
      Yoichi Tadokoro, Soh Ishii, Yoshifumi Noguchi, Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization(ACCMS-VO)
    • Place of Presentation
      Tohoku Univ.
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Encapsulation of Carbon Chains in Single-Walled carbon Nanotubes : A First-Principles Study2010

    • Author(s)
      Riichi Kuwahara, Tsuguo Morisato, Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization(ACCMS-VO)
    • Place of Presentation
      Tohoku Univ.
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Vacuum-Ultraviolet Reflectance Difference Spectroscopy for Characterizing Dielectrics-Semiconductor Interfaces2010

    • Author(s)
      S.Ogata, S.Ohno, M.Tanaka, T.Mori, T.Horikawa, T.Yasuda
    • Organizer
      5th Int.Conf.Spectroscopic Ellipsometry (ICSE-V)
    • Place of Presentation
      アルバニー(アメリカ)
    • Year and Date
      2010-05-27
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Real-time optical measurement of a-sexithiophene adsorption processes onmodified Si(001)-(2xl) surfaces2010

    • Author(s)
      H.Toyoshima, S.Ohno, T.Yokoyama, M.Tanaka
    • Organizer
      18^<th> Int.Vacuum Congress
    • Place of Presentation
      北京(中国)
    • Year and Date
      2010-08-26
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Electronic states of metallic peanut-shaped fullerene polymers2010

    • Author(s)
      Yusuke Noda , Kaoru Ohno
    • Organizer
      The Fifth General Meeting of Asian Consortium of Computational Materials Science(ACCMS)-VO
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2010-12-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 理想鎖を架橋したゴムの粗視化モデル2010

    • Author(s)
      鳥海優人、大野かおる
    • Organizer
      ナノ学会第8回大会
    • Place of Presentation
      分子研(岡崎市)
    • Year and Date
      2010-05-13
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 材料シミュレーション2010

    • Author(s)
      大野かおる
    • Organizer
      文科省:技術振興調整費事業「企業を牽引する計算科学高度技術者の育成」第1回シミュレーションスクール
    • Place of Presentation
      神戸ポートアイランド(招待講演)
    • Year and Date
      2010-10-25
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Presentation] Temperature dependence of monolayer oxide growth processes on Si(001)-(2x1) studied with optical reflectance spectroscopic methods2010

    • Author(s)
      S.Ohno, F.Mitobe, J.Koizumi, T.Suzuki, K.Shudo, M.Tanaka
    • Organizer
      5th Int.Conf.Spectroscopic Ellipsometry (ICSE-V)
    • Place of Presentation
      アルバニー(アメリカ)
    • Year and Date
      2010-05-25
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] First-Principles Calculations of One-Dimensional Peanut-Shaped Fullerene Polymers2010

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜市開港記念会館
    • Year and Date
      2010-12-22
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 時間依存密度汎関数理論に基づく電子励起ダイナミクスの有効性について2010

    • Author(s)
      大野かおる、兒玉泰伸
    • Organizer
      日本金属学会
    • Place of Presentation
      筑波大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 1次元ピーナッツ型フラーレンポリマーの第一原理計算2010

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Second-order and GW corrections to Hartree-Fuck approximation for atoms : All-electron mixed basis approach2010

    • Author(s)
      Yoichi Tadokoro, Soh Ishii, Yoshifumi Noguchi, Kaoru Ohno
    • Organizer
      The Fifth General Meeting of Asian Consortium of Computational Materials Science(ACCMS)-VO
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2010-12-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 金属性ピーナッツ型フラーレンポリマーの電子状態2010

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      ナノ学会第8回大会
    • Place of Presentation
      愛知県岡崎市
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Second-order and GW corrections to Hartree-Fock approxi-mation for atoms: All-electron mixed basis approach2010

    • Author(s)
      Yoichi Tadokoro, Soh Ishii, Yoshifumi Noguchi, and Kaoru Ohno
    • Organizer
      The Fifth General Meeting of ACCMS-VO
    • Place of Presentation
      Sendai, Japan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles GW+ Bethe-Salpeter calculation of photoabsorption spectra for small CdSe clusters2010

    • Author(s)
      Momoko Nagaoka, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      Sendai, Jan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 理想鎖を架橋したゴムの粗視化モデルのモンテカルロ・シミュレーション2010

    • Author(s)
      鳥海優人、大野かおる
    • Organizer
      日本物理学会(大阪府立大)
    • Place of Presentation
      大阪府堺市
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Binding energy estimation of hydrogen storage materials by all-electron mixed basis program TOMBO2010

    • Author(s)
      Ryoji Sahara, N.S.Venkataramanan, Hiroshi Mizuseki, Marcel Sluiter, KaoruOhno, Yoshiyuki Kawazce
    • Organizer
      Ψ_k Conference 2010
    • Place of Presentation
      Berlin(ドィッ)自由大学
    • Year and Date
      2010-09-14
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 理想鎖を架橋したゴムの粗視化モデル2010

    • Author(s)
      鳥海優人、大野かおる
    • Organizer
      ナノ学会第8回大会
    • Place of Presentation
      愛知県岡崎市
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Real-time optical measurement ofα-sexithiophene adsorption processes on modified Si(001)-(2x1) surfaces2010

    • Author(s)
      H. Toyoshima, S. Ohno, T. Yokoyama and M. Tanaka
    • Organizer
      18th International Vacuum Congress
    • Place of Presentation
      Beijing, China
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Development of the all-electron mixed basis Hartree-Fock calculation code satisfying virial theorem2010

    • Author(s)
      Yoichi Tadokoro, Soh Ishii, Yoshifumi Noguchi, and Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      Sendai, Jan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Theoretical Study on Metal Organic Frameworks by All-Electron Mixed-Basis Program TOMBO2010

    • Author(s)
      Ryoji Sahara, Hisoshi Mizuseki, Kaoru Ohno, Marcel Sluiter, Yoshiyuki Kawazoe
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization(ACCMS-VO)
    • Place of Presentation
      Tohoku Univ.
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Theoretical study of hydrogen storage materials using all-electron mixed-basis program TOMBO2010

    • Author(s)
      Ryoichi Sahara, Hiroshi Mizuseki, Marcel F. Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      The Fifth General Meeting of ACCMS-VO
    • Place of Presentation
      Sendai, Japan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Binding energy estimation of hydrogen storage materials by all-electron mixed basis program TOMBO2010

    • Author(s)
      Ryoji Sahara, N. S. Venkataramanan, Hiroshi Mizuseki, Marcel Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      Ψ_k Conference 2010
    • Place of Presentation
      Berlin, 自由大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] オリゴチオフェン超薄膜成長過程とSi表面終端構造との相関2010

    • Author(s)
      豊島弘明, 新江定憲, 大野真也, 横山崇, 鈴木隆則, 田中正俊
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2010-09-24
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Theoretical Study on Metal Organic Frameworks by All-Electron Mixed-Basis Program TOMBO2010

    • Author(s)
      Ryoji Sahara, Hisoshi Mizuseki, Kaoru Ohno, Marcel Sluiter, and Yoshiyuki Kawazoe
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      Sendai, Jan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法による二次摂動計算プログラムの開発と孤立原子への応用2010

    • Author(s)
      田所洋一、石井聡、野口良史、大野かおる
    • Organizer
      日本物理学会2010年秋期大会
    • Place of Presentation
      大阪府立大(堺市)
    • Year and Date
      2010-09-26
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 実在鎖を架橋したゴムのモデルのモンテカルロ・シミュレーション(Monte Carlo simulations of a rubber model cross-linked with ideal chains)2010

    • Author(s)
      鳥海優人、大野かおる
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 時間依存密度汎関数理論に基づく電子励起ダイナミクスの有効性について2010

    • Author(s)
      大野かおる
    • Organizer
      日本金属学会
    • Place of Presentation
      日本金属学会
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Asimple rubber model corss-linked with ideal chains2010

    • Author(s)
      Yuto Toriumi , Kaoiu Ohno
    • Organizer
      The Fifth General Meeting of Asian Consortium of Computational Materials Science(ACCMS)-VO
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2010-12-10
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 時間依存密度汎関数理論に基づく電子励起ダイナミクスの有効性について2010

    • Author(s)
      大野かおる
    • Organizer
      日本金属学会
    • Place of Presentation
      日本金属学会
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Presentation] Light-harvesting charge separation dynamics simulation at molecular heterojunction of C_<60> and zinc phthalocyanine-oligophenylenevinylene by means of the time-dependent Density Functional Theory2010

    • Author(s)
      Kaoru Ohno
    • Organizer
      Ψ_k Conference 2010
    • Place of Presentation
      Berlin(ドィッ)自由大学
    • Year and Date
      2010-09-14
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Encapsulation of Carbon Chains in Single-Walled carbon Nanotubes: A First-Principles Study2010

    • Author(s)
      Riichi Kuwahara, Tsuguo Morisato, and Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      Sendai, Jan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Light-harvesting charge separation dynamics simulation at molecular heterojunction of C_60 and zinc phthalocyanine oligophenylenevinylene by means of the time-dependent density functional theory2010

    • Author(s)
      Kaoru Ohno
    • Organizer
      Ψ_k Conference 2010
    • Place of Presentation
      Berlin, 自由大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] A simple rubber model corss-linked with ideal chains2010

    • Author(s)
      Yuto Toriumi and Kaoru Ohno
    • Organizer
      The Fifth General Meeting of ACCMS-VO
    • Place of Presentation
      Sendai, Japan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 金属性ピーナッツ型フラーレンポリマーの電子状態2010

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会(大阪府立大)
    • Place of Presentation
      大阪府堺市
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 金属性ピーナッツ型フラーレンポリマーの電子状態2010

    • Author(s)
      野田祐輔、大野かおる
    • Organizer
      日本物理学会2010年秋期大会
    • Place of Presentation
      大阪府立大(堺市)
    • Year and Date
      2010-09-24
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Si高指数面上に形成した酸化膜における界面準位密度の再検討2010

    • Author(s)
      尾形祥一, 大野真也, 田中正俊, 森貴洋, 堀川剛, 安田哲二
    • Organizer
      ゲートスタック研究会 (第15回研究会)
    • Place of Presentation
      東レ総合研修センター
    • Year and Date
      2010-01-22
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] First-principles GW + Bethe-Salpeter calculation of photoabsorption spectra of Na clusters2010

    • Author(s)
      Yoshifumi Noguchi and Kaoru Ohno
    • Organizer
      The Fourth General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      Sendai, Jan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Electronic states of metallic peanut-shaped fullerene polymers2010

    • Author(s)
      Yusuke Noda and Kaoru Ohno
    • Organizer
      The Fifth General Meeting of ACCMS-VO
    • Place of Presentation
      Sendai, Japan
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 理想鎖を架橋したゴムの粗視化モデルのモンテカルロ・シミュレーション2010

    • Author(s)
      鳥海優人、大野かおる
    • Organizer
      日本物理学会2010年秋期大会
    • Place of Presentation
      大阪府立大(堺市)
    • Year and Date
      2010-09-26
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-principles calculation of C_10H_n@SWCNT (n=0, 1, 2) : Analysis of the stability and encapsulation mechanism2009

    • Author(s)
      Riichi Kuwahara, Tsuguo Morisato, Soh Ishii, and Kaoru Ohno
    • Organizer
      The Third General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      東北大学・松島大観荘
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Presentation] Charge Separation Dynamics at Molecular Heterojunction of C_<60> and Zn-Phthalocyanine(Invited Talk)2009

    • Author(s)
      Kaoru Ohno, Yasunobu Kodama
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] オリゴチオフェン超薄膜成長過程の表面差分反射分光による解析2009

    • Author(s)
      井上慧, 脇田創, 浅利友隆, 西山文貴, 横山崇, 大野真也, 田中正俊
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学
    • Year and Date
      2009-09-26
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Lattice Monte Carlo Method as a Powerful Tool2009

    • Author(s)
      大野かおる
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Presentation] Spin-Polarized all-electron GW+T-Matrix Calculation for Single and Double Quasiparticle Energies of Al Clusters2009

    • Author(s)
      Yoshifumi Noguchi, Kaoru Ohno, Igor Solovyev, Taizo Sasaki
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] First-Principles GW+ Bethe-Salpeter Calculations of Photoemission and Photoabsorption Spectra of Small CdSe Clusters2009

    • Author(s)
      Momoko Nagaokoa, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
    • Organizer
      The Third General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VO)
    • Place of Presentation
      東北大学・松島大観荘
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Presentation] π共役デンドリマーの電子ダイナミクス計算2009

    • Author(s)
      兒玉泰伸、石井聡、大野かおる
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] π共役デンドリマーの電子ダイナミクス計算2009

    • Author(s)
      兒玉泰伸、石井聡、大野かおる
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学・武田ホール
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Lattice Monte Carlo method as a powerful tool(Invited Lecture)2009

    • Author(s)
      大野かおる
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Lattice Monte Carlo method as a powerful tool2009

    • Author(s)
      Kaoru Ohno
    • Organizer
      The 5^<th> Conference of Asian Consortium on Computational Mate-rials Science (ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Binding Energy Estimation of Hydrogen Storage Materials by All-Electr on Mixed-Basis Program TOMBO2009

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Kaoru Ohno, Marcel Sluiter, Yoshiyuki Kawazoe
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] オリゴチオフェン超薄膜成長過程における配向変化の解析2009

    • Author(s)
      井上慧, 脇田創, 浅利友隆, 西山文貴, 横山崇, 大野真也, 田中正俊
    • Organizer
      第50回真空に関する連合講演会
    • Place of Presentation
      学習院大学
    • Year and Date
      2009-11-04
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] C_<10>H_n@SWNT(η=0, 1, 2)の第一原理計算 : その安定性と内包メカニズム2009

    • Author(s)
      桑原理一、森里嗣生、石井聡、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      立教大学
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Presentation] Si高指数面上に形成したSiO2界面の真空紫外RDS評価 : ウエット酸化とドライ酸化の比較2009

    • Author(s)
      尾形祥一, 大野真也, 田中正俊, 堀川剛, 安田哲二
    • Organizer
      第70回応用物理学会学術講演会
    • Place of Presentation
      富山大学
    • Year and Date
      2009-09-08
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] C_<10>H_n@SWCNTの第一原理計算2009

    • Author(s)
      桑原理一、森里嗣生、石井聡、大野かおる
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学・武田ホール
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Si(111)-(√3×√3)-Ag表面上に配列したオリゴチオフェン分子の低温STM観察2009

    • Author(s)
      浅利友隆, 横山崇, 大野真也, 田中正俊
    • Organizer
      第50回真空に関する連合講演会
    • Place of Presentation
      学習院大学
    • Year and Date
      2009-11-04
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] Volume-fraction dependence of patterns and shear viscosity in a water/oil/ABA block copolymer system : A Monte Carlo simulation2009

    • Author(s)
      Natsuko Nakagawa and Kaoru Ohno
    • Organizer
      The Third General Meeting of Asian Consortium on Computational Materials Science-Virtual Organization (ACCMS-VQ)
    • Place of Presentation
      東北大学・松島大観荘
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Presentation] 全電子混合基底法プログラム TOMBO による水素貯蔵材料の結合エネルギー計算2009

    • Author(s)
      佐原亮二、亀掛川理、水関博志、Marcel H. F. Sluiter, 大野かおる、川添良幸
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料の結合エネルギー計算2009

    • Author(s)
      佐原亮二、亀掛川理、水関博志、Marcel H.F.Sluiter, 大野かおる、川添良幸
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学・武田ホール
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Charge Separation Dynamics at Molecular Heterojunction of C_60 and Zn-Phthalocyanine2009

    • Author(s)
      大野かおる
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Presentation] Development of the all-electron mixed basis Hartree-Fock calculation code2009

    • Author(s)
      Yoichi Tadokoro, Kaoru Ohno, Soh Ishii, Yoshifumi Noguchi
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science(ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 第一原理GW+T行列によるAlクラスターの励起状態計算2009

    • Author(s)
      野口良史、大野かおる、Igor Solovyev, 佐々木泰造
    • Organizer
      日本物理学会
    • Place of Presentation
      立教大学
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Presentation] Binding Energy Estimation of Hydrogen Storage Materials by All-Electron Mixed-Basis Program TOMBO2009

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Kaoru Ohno, Marcel Sluiter, and Yoshiyuki Kawazoe
    • Organizer
      The 5^<th> Conference of Asian Consortium on Computational Materials Science (ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Charge Separation Dynamics at Molecular Heterojunction of C60 and Zn-Phthalocyanine2009

    • Author(s)
      K. Ohno
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science (ACCMS5)
    • Place of Presentation
      Hanoi;ベトナム(招待講演)
    • Data Source
      KAKENHI-PROJECT-20241025
  • [Presentation] Charge Separation Dynamics at Molecular Heterojunction of C_60 and Zn-Phthalocyanine2009

    • Author(s)
      Kaoru Ohno and Yasunobu Kodama
    • Organizer
      The Fifth Conference of Asian Consortium on Computational Materials Science (ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 全電子混合基底法による第一原理GW+Bethe-Salpeter計算2009

    • Author(s)
      長岡桃子、野口良史、石井聡、大野かおる
    • Organizer
      日本物理学会
    • Place of Presentation
      立教大学
    • Data Source
      KAKENHI-PROJECT-19019005
  • [Presentation] C_10H_n@SWCNTの第一原理計算2009

    • Author(s)
      桑原理一、森里嗣生、石井聡、大野かおる
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 有機分子蒸着源の作製と表面差分反射分光による In-situ 成膜評価2009

    • Author(s)
      脇田創, 井上慧, 大野真也, 田中正俊
    • Organizer
      第70回応用物理学会学術講演会
    • Place of Presentation
      富山大学
    • Year and Date
      2009-09-08
    • Data Source
      KAKENHI-PROJECT-21360020
  • [Presentation] First-Principles Analysis of Photoabsorption Spectra of (CdSe)_34 Clusters in Pearl-Necklace Geometry2009

    • Author(s)
      Momoko Nagaoka, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
    • Organizer
      The 5^<th> Conference of Asian Consortium on Computational Materials Science (ACCMS5)
    • Place of Presentation
      Hanoi
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] Optical Properties of Small (CdSe)n Clusters by First-Principles GW + Bethe-Salpeter Approach2009

    • Author(s)
      Momoko Nagaoka, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
    • Organizer
      International Symposium of Electronic Structure Calculations-Theory, Correlated and Large Scale Systems and Numerical Methods
    • Place of Presentation
      Univ. of Tokyo
    • Data Source
      KAKENHI-PROJECT-21340115
  • [Presentation] 2高分子の線形・非線形弾性挙動2009

    • Author(s)
      政辻悟、中川奈津、大野かおる
    • Organizer
      ナノ学会
    • Place of Presentation
      東京大学
    • Data Source
      KAKENHI-PROJECT-21340115