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Tsuneyuki Shinji  常行 真司

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TSUNEYUKI Shinji  常行 真司

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Researcher Number 90197749
Other IDs
External Links
Affiliation (Current) 2025: 東京大学, 大学院理学系研究科(理学部), 教授
Affiliation (based on the past Project Information) *help 2024: 東京大学, 大学院理学系研究科(理学部), 教授
2017 – 2022: 東京大学, 大学院理学系研究科(理学部), 教授
2012 – 2016: 東京大学, 理学(系)研究科(研究院), 教授
2015: 東京大学, 理学系研究科, 教授
2014: 東京大学, 大学院理学研究科, 教授 … More
2006 – 2011: 東京大学, 大学院・理学系研究科, 教授
2008: 東京大学, 大学院・理工学研究科, 教授
2008: 東京大学, 理学系研究科, 教授
2007: University of Tokyo, Faculty of Science, Professor
2007: 東京大学, 大学院・理学系研究科, 准教授
2007: 東京大学, 大学院・理学系研究科, 助教授
2006: 東京大学, 大学院理学系研究科, 准教授
2005 – 2006: The University of Tokyo, Department of Physics, Associate Professor, 大学院理学系研究科, 助教授
2002 – 2005: University of Tokyo, Graduate School of Science, Associate Professor, 大学院・理学系研究科, 助教授
2002: 東京大学, 大学院・自然科学系研究科, 助教授
2002: 東京大学, 理学系研究科, 助教授
1992 – 2001: 東京大学, 物性研究所, 助教授
1999: 九州大学, 大学院・理学研究科, 助教授
1996: Institute for Solid State Physics, University of Tokyo, 物理工学所, 助教授
1991: 東京大学, 理学部, 助手 Less
Review Section/Research Field
Principal Investigator
Science and Engineering / Science and Engineering / Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related / Mathematical physics/Fundamental condensed matter physics / 物性一般(含基礎論) / Computational science
Except Principal Investigator
Science and Engineering / 固体物性Ⅰ(光物性・半導体・誘電体) / Science and Engineering / Condensed matter physics II / Nanostructural science / Nanomaterials/Nanobioscience / Petrology/Mineralogy/Science of ore deposit
Keywords
Principal Investigator
第一原理計算 / 電子相関 / ダイヤモンド / 第一原理分子動力学法 / データ同化 / 電子状態計算 / グラファイト層間化合物 / 第一原理電子状態計算 / SnI_4 / Beyond LDA … More / 波動関数理論 / 密度汎関数法 / 局所密度近似 / 多体問題 / グラファイト / 分子動力学法 / シリカ / ケイ酸塩 / マグマ / 粘性 / 変分モンテカルロ法 / 量子モンテカルロ法 / 回折実験 / 表面・界面構造 / 構造探索 / 高次水素機能 / ハイドロジェノミクス / 水素 / 物質構造探査 / 結晶構造解析 / 物質構造探索 / Silicide / Fullerene / C60 Polymer / BCN Copmound / Diamond / High Pressure / First-Principles Moleculara Dynamics Method / 層状物質 / 構造相転移 / SnI4 / C_<60>ポリマー / ヘテロダイヤモンド / シリサイド / フラレン / C60ポリマー / BCN化合物 / 高圧 / オーダーN法 / 不純物準位 / エネルギースペクトル / ナノ構造 / 分割統治法 / モデリング / 原子間力モデル / 電極反応 / 非平衡ダイナミクス / 熱伝導 / 多体摂動論 / 強相関電子系 / 有効多電子理論 / 密度汎関数 / 密度汎関数理論 / 圧力誘起構造変化 / カーボンアロイ / 電子状態 / 高圧合成 / 炭素 / カ-・パリネロ法 / 超高圧 / シリケイト / 変分量子モンテカルロ法 / 多体効果 … More
Except Principal Investigator
第一原理計算 / Graphite / ナノグラファイト / グラファイト / high pressure / 吸着 / 有機分子 / 表面 / シリコン / リチウム電池 / スピン偏極電子銃 / 電子伝達 / 電池材料 / 触媒化学 / スピントロニクス / 化学反応 / 生体物質 / 光触媒 / イオン伝導 / スピン伝導 / 超低速ミュオン / electronic transition / structural transition / hydride / rare-earth metal / 圧力誘起相転移 / 金属水素化物 / 高圧 / 金属転移 / 高圧力 / 電子転移 / 構造転移 / 水素化物 / 希土類金属 / interface / adsorption / first principles calculation / scanning tunneling microscopy / electron energy loss spectroscopy / organic molecule / surface / silicon / 光電子分光 / STM / X線発光分光 / X線吸収分光 / 界面 / 走査型トンネル顕微鏡 / 電子エネルギー損失分光 / trans-correlated method / Hubbard model / the first-principles calculation / Nanotubes / Flat-band ferromagnetism / molecular magnetism / Nano-graphite / トランスコリレイティッド法 / フェリ磁性 / 平坦バンド / ナノ炭素構造 / トランスコリレーティッド法 / ハバード模型 / ナノチューブ / 平坦バンド強磁性 / 分子磁性 / Layered materials / Magnetism / Nanographite / Direct-gap semiconductor / Electronic structure calculation / Fluorinated carbon / ダイヤモンド / バンド構造 / 層状物質 / 磁性 / 直接遷移型半導体 / 電子状態計算 / フッ化炭素 / lattice dynamics / molecular dynamics / high temperature / interatomic interactions / computer simulation / 地球内部 / 構造と物性 / 鉱物 / 格子動力学法 / 分子動力学法 / 原子間相互作用 / ケイ酸塩鉱物 / 高温高圧 / 計算機シミュレーション / Ortho-para separation / Rotational state / Ortho-para conversion / REMPI / Solid surfaces / Hydrogen molecule / 核スピン転換 / オルソーパラ分離 / オルソーパラ転換 / オルソ-パラ分離 / 回転準位 / オルソ-パラ転換 / 共鳴イオン化法 / 固体表面 / 水素分子 / ab-initio calculations / density matrix renormalization group / quantum Monte Carlo simulation / spin gap / metal-insulator transition / strongly correlated electron system / many-body problem / condensed matter / Car-Parrinello法 / 周期的アンダーソン模型 / 重い電子系 / モット絶縁体 / 多体問題 / 密度行列繰り込み群 / 量子モンテカルロ計算 / スピンギャップ / 金属絶縁体転移 / 強相関電子系 / 凝縮系物理 / アーキテクチャ / コンピュータ・サイエンス / 量子多体系 / 次世代コンピュータ / コンピュータサイエンス / 量子論 / 原子構造 / 電子物性 / ナノ構造 / 情報科学 / 計算物質科学 / 非平衡ダイナミクス / 複合相関 / 物質科学 / 計算機科学 / タンパク質 / 強相関物質 / ナノ構造・物質 / HPC / 密度汎関数理論 / 計算機(情報)科学 / 計算科学 / コンピューティクス / 結晶ピセン / 特異フォノン / ハイドレート / クラスレート / 低温物性 / 量子閉じ込め / ナノ材料 / 物性理論 / 分子動力学シミュレーション / 第一原理電子状態計算 / 強相関効果 / 芳香族超伝導体 / ゼオライト鋳型炭素 / カーボンナノチューブ / フラーレン / ゼオライト / 計算物理 / トンネル遷移 / 分子デバイス / トンネル分光 / 化学吸着 / 電子状態 / ナノ系電子輸送 / ナノ接合 / 単分子エレクトロニクス / 分子吸着系 / 量子輸送 / 分子架橋 / ナノプローブ / ナノ表面物性 / 遮蔽KKR法 / 輸送現象 / フルポテンシャルKKR / 手法の公開と普及 / LDAを超える手法 / オーダー N 法 / LDA を超えて / 計算コードの普及と公開 / デバイスデザイン / 量子シミュレータ / オーダーN法 / LDAを超えて / 計算マテリアルデザイン / 計算機マテリアルデザイン / 量子シミュレーション / 量子デザイン / 反応 / 走査トンネル顕微鏡 / 電子分光 / IRAS / 結晶 / アモルファス / 分子進化 / 氷 / 水 Less
  • Research Projects

    (29 results)
  • Research Products

    (201 results)
  • Co-Researchers

    (82 People)
  •  Development of data assimilation modeling methods for complex material structuresPrincipal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      2024 – 2026
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
    • Research Institution
      The University of Tokyo
  •  High precision prediction of hydrogen function by advanced simulationsPrincipal Investigator

    • Principal Investigator
      Tsuneyuki Shinji
    • Project Period (FY)
      2018 – 2022
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Development and demonstration of a material structure exploration method based on data assimilation of first-principles calculations and experimentsPrincipal Investigator

    • Principal Investigator
      Tsuneyuki Shinji
    • Project Period (FY)
      2017 – 2019
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Mathematical physics/Fundamental condensed matter physics
    • Research Institution
      The University of Tokyo
  •  Development of integrated simulation method for elucidation of electronic properties of nanostructuresPrincipal Investigator

    • Principal Investigator
      Tsuneyuki Shinji
    • Project Period (FY)
      2014 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Computational science
    • Research Institution
      The University of Tokyo
  •  Spin transport and catalytic reactions in the boundary regions

    • Principal Investigator
      TORIKAI Eiko
    • Project Period (FY)
      2011 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      University of Yamanashi
  •  Materials Design thorough Computics: Complex Correlation and Non-Equilibrium Dynamics

    • Principal Investigator
      OSHIYAMA Atsushi
    • Project Period (FY)
      2010 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics MethodsPrincipal Investigator

    • Principal Investigator
      TSUNEYUKI Shinji
    • Project Period (FY)
      2010 – 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
      The University of Tokyo
  •  Theoretical study of materials with regulated nano spaces

    • Principal Investigator
      ARITA Ryotaro
    • Project Period (FY)
      2007 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
      The Institute of Physical and Chemical Research
  •  Development of new methods of first-principles calculationPrincipal Investigator

    • Principal Investigator
      TSUNEYUKI Shinji
    • Project Period (FY)
      2005 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Development of new method of electromic structure calculation for correlated electronic systemsPrincipal Investigator

    • Principal Investigator
      TSUNEYUKI Shinji
    • Project Period (FY)
      2005 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Development of New Quantum Simulators and Quantum Design

    • Principal Investigator
      AKAI Hidazumi
    • Project Period (FY)
      2005 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Osaka University
  •  Theory of nano-link molecules

    • Principal Investigator
      TSUKADA Masaru
    • Project Period (FY)
      2005 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Waseda University
  •  Synthesis of Metal Hydrides using Densified Hydrogen Fluid and Clarification of The Electronic transition Mechanism

    • Principal Investigator
      AOKI Katsutoshi
    • Project Period (FY)
      2005 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Condensed matter physics II
    • Research Institution
      Japan Atomic Energy Agency
  •  Electronic properties of single and arranged organic molecules on semiconductor surfaces

    • Principal Investigator
      YOSHINOBU Jun
    • Project Period (FY)
      2004 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanostructural science
    • Research Institution
      The University of Tokyo
  •  Theoretical design of nano-carbon magnets

    • Principal Investigator
      KUSAKABE Koichi
    • Project Period (FY)
      2003 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      Osaka University
  •  Theoretical Study on the Electronic States of Layered Fluorinated Carbon Materials

    • Principal Investigator
      KUSAKABE Koichi
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      固体物性Ⅰ(光物性・半導体・誘電体)
    • Research Institution
      NIIGATA UNIVERSITY
  •  2次元場に固定された配向分子の反応

    • Principal Investigator
      YOSHINOBU Jun
    • Project Period (FY)
      2000 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  GICの低温圧縮を用いた新炭素物質合成の理論研究Principal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Research Institution
      The University of Tokyo
  •  低温高圧を用いた新炭素物質合成の第一原理計算機シミュレーションPrincipal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1998
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Research Institution
      The University of Tokyo
  •  Ortho-para conversion of hydrogen molecules at solid surfaces : elucidation of the mechanism and application to a new spin probe at surfaces

    • Principal Investigator
      FUKUTANI Katsuyuki
    • Project Period (FY)
      1998 – 1999
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      固体物性Ⅰ(光物性・半導体・誘電体)
    • Research Institution
      The University of Tokyo
  •  Development of the simulation system for predicting structural and physical properties of minerals

    • Principal Investigator
      MATSUI Masanori
    • Project Period (FY)
      1998 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Petrology/Mineralogy/Science of ore deposit
    • Research Institution
      Himeji Institute of Technology
      Kyushu University
  •  高圧を用いた新炭素物質合成の第一原理計算機シミュレーションPrincipal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1997
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  Application of the First-Principles Molecular Dynamics Method to the Study of Condensed Matter Physics under High PressurePrincipal Investigator

    • Principal Investigator
      TSUNEYUKI Shinji
    • Project Period (FY)
      1996 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      物性一般(含基礎論)
    • Research Institution
      The University of Tokyo
  •  Many-body Problems in Condensed Matter Physics

    • Principal Investigator
      UEDA Kazuo
    • Project Period (FY)
      1995 – 1996
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Institution
      The University of Tokyo
  •  ケイ酸塩融体の粘性の微視的理論Principal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  変分量子モンテカルロ法による電子状態計算Principal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  ケイ酸塩の粘性の理論Principal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  変分量子モンテカルロ法による電子状態計算の応用Principal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  量子モンテカルロ法を用いた固体の電子状態計算Principal Investigator

    • Principal Investigator
      常行 真司
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo

All 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 Other

All Journal Article Presentation Book

  • [Book] Journal of Physics Condensed Matter, Special issue, Proceedings of the 2nd International Conference on Quantum Simulators and Design2009

    • Author(s)
      H. Akai, S. Tsuneyuki (eds. )
    • Total Pages
      264
    • Publisher
      IOP Publishing
    • Data Source
      KAKENHI-PROJECT-17064003
  • [Book] Journal of Physics: Condensed Matter Special Issue: International Conference on Quantum Simulators and Design 20082009

    • Author(s)
      H. Akai, S. Tsuneyuki
    • Publisher
      IOP Publishing
    • Data Source
      KAKENHI-PROJECT-17064005
  • [Book] Journal of Physics : Condensed Matter Special Issue : International Conference on Quantum Simulators and Design2009

    • Author(s)
      H.Akai, S.Tsuneyuki (Edis.)
    • Total Pages
      300
    • Publisher
      IOP Publishing
    • Data Source
      KAKENHI-PROJECT-17064005
  • [Book] Journal of Physics Condensed Matter, Special issue, Proceedings of the 2nd International Conference on Quantum Simulators and Design (Tokyo, Japan 31 May-3 June 2008).2009

    • Author(s)
      H.Akai, S.Tsuneyuki (eds.)
    • Total Pages
      264
    • Publisher
      IOP Publishing
    • Data Source
      KAKENHI-PROJECT-17064003
  • [Journal Article] Lattice dielectric properties of rutile TiO2: First-principles anharmonic self-consistent phonon study2023

    • Author(s)
      Amano Tomohito、Yamazaki Tamio、Akashi Ryosuke、Tadano Terumasa、Tsuneyuki Shinji
    • Journal Title

      Physical Review B

      Volume: 107 Issue: 9

    • DOI

      10.1103/physrevb.107.094305

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K03424, KAKENHI-PLANNED-18H05519
  • [Journal Article] Accelerating simulated annealing of glassy materials with data assimilation2023

    • Author(s)
      Zhao Yuansheng、Sato Ryuhei、Tsuneyuki Shinji
    • Journal Title

      Journal of Non-Crystalline Solids

      Volume: 600 Pages: 122028-122028

    • DOI

      10.1016/j.jnoncrysol.2022.122028

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-22KJ0579, KAKENHI-PLANNED-18H05519
  • [Journal Article] Data-Assimilated Molecular Dynamics Simulation for Hydrogen Containing Materials using X-ray Diffraction Pattern2022

    • Author(s)
      佐藤龍平、常行真司
    • Journal Title

      Nihon Kessho Gakkaishi

      Volume: 64 Issue: 2 Pages: 170-173

    • DOI

      10.5940/jcrsj.64.170

    • ISSN
      0369-4585, 1884-5576
    • Year and Date
      2022-05-31
    • Language
      Japanese
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Journal Article] Repeatable Photoinduced Insulator-to-Metal Transition in Yttrium Oxyhydride Epitaxial Thin Films2022

    • Author(s)
      Y. Komatsu, Ryota Shimizu, R. Sato, M. Wilde, K. Nishio, T. Katase, D. Matsumura, H. Saitoh, M. Miyauchi, J. R. Adelman, R. M. L. McFadden, D. Fujimoto, J. O. Ticknor, M. Stachura, I. McKenzie, G. D. Morris, W. A. MacFarlane, J. Sugiyama, K. Fukutani, S. Tsuneyuki, T. Hitosugi
    • Journal Title

      Chemistry of Materials

      Volume: 34 Issue: 8 Pages: 3616-3623

    • DOI

      10.1021/acs.chemmater.1c03450

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19H02596, KAKENHI-PROJECT-21J12651, KAKENHI-PROJECT-21K18892, KAKENHI-PROJECT-18H01863, KAKENHI-PLANNED-18H05518, KAKENHI-PLANNED-18H05514, KAKENHI-PLANNED-18H05519, KAKENHI-PROJECT-21H04650
  • [Journal Article] A noise-robust data assimilation method for crystal structure determination using powder diffraction intensity2022

    • Author(s)
      Yoshikawa Seiji、Sato Ryuhei、Akashi Ryosuke、Todo Synge、Tsuneyuki Shinji
    • Journal Title

      The Journal of Chemical Physics

      Volume: 157 Issue: 22 Pages: 224112-224112

    • DOI

      10.1063/5.0125553

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20H01824, KAKENHI-PLANNED-18H05519
  • [Journal Article] Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO2H(A=K, Rb, Cs): First-principles study2021

    • Author(s)
      Ghim Minjae、Sato Nobuya、Akashi Ryosuke、Jhi Seung-Hoon、Tsuneyuki Shinji
    • Journal Title

      Physical Review Materials

      Volume: 5 Issue: 5

    • DOI

      10.1103/physrevmaterials.5.054802

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Journal Article] 水素の先端計算による水素機能の高精度解析2021

    • Author(s)
      常行真司
    • Journal Title

      まてりあ

      Volume: 60 Pages: 176-180

    • NAID

      130007992931

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Journal Article] 実験とシミュレーションのデータ同化に基づく効率的結晶構造決定2021

    • Author(s)
      濱田幾太郎、常行真司
    • Journal Title

      セラミックス

      Volume: 56 Pages: 100-103

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Journal Article] Effect of spin fluctuations on superconductivity in V and Nb: A first-principles study2020

    • Author(s)
      Tsutsumi Kentaro、Hizume Yuma、Kawamura Mitsuaki、Akashi Ryosuke、Tsuneyuki Shinji
    • Journal Title

      Physical Review B

      Volume: 102 Issue: 21

    • DOI

      10.1103/physrevb.102.214515

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20K15012, KAKENHI-PLANNED-18H05519
  • [Journal Article] Crystal Structure Analysis by Data Assimilation of X-ray Diffraction Experiment and Simulation2020

    • Author(s)
      藤堂眞治,常行真司
    • Journal Title

      Nihon Kessho Gakkaishi

      Volume: 62 Issue: 1 Pages: 51-55

    • DOI

      10.5940/jcrsj.62.51

    • NAID

      130007806200

    • ISSN
      0369-4585, 1884-5576
    • Year and Date
      2020-02-29
    • Language
      Japanese
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-18H05519, KAKENHI-PROJECT-17H02930
  • [Journal Article] Search for common minima in joint optimization of multiple cost functions2019

    • Author(s)
      Adachi Daiki、Tsujimoto Naoto、Akashi Ryosuke、Todo Synge、Tsuneyuki Shinji
    • Journal Title

      Computer Physics Communications

      Volume: 241 Pages: 92-97

    • DOI

      10.1016/j.cpc.2019.02.004

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-17K05564, KAKENHI-PLANNED-18H05519, KAKENHI-PROJECT-17H02930
  • [Journal Article] Crystal structure prediction supported by Insufficient experimental data2018

    • Author(s)
      N. Tsujimoto, D. Adachi, R. Akashi, S. Todo and S. Tsuneyuki
    • Journal Title

      Phys. Rev. Materials

      Volume: 2 Issue: 5

    • DOI

      10.1103/physrevmaterials.2.053801

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Journal Article] Efficient method for calculating spatially extended electronic states of large systems with a divide-and-conquer approach2017

    • Author(s)
      S. Yamada, F. Shimojo, R. Akashi, and S. Tsuneyuki
    • Journal Title

      Physical Review B

      Volume: 95 Issue: 4 Pages: 045106-045106

    • DOI

      10.1103/physrevb.95.045106

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PROJECT-26286085, KAKENHI-PROJECT-16K05478, KAKENHI-PROJECT-15K20940
  • [Journal Article] Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study2015

    • Author(s)
      T. Tadano, Y. Gohda, S. Tsuneyuki
    • Journal Title

      Phys. Rev. Lett.

      Volume: 114 Issue: 9

    • DOI

      10.1103/physrevlett.114.095501

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Improved tetrahedron method for the Brillouin-zone integration applicable to response functions2014

    • Author(s)
      M. Kawamura, Y. Gohda, and S. Tsuneyuki
    • Journal Title

      Phys. Rev.

      Volume: B89 Issue: 9 Pages: 94515-94515

    • DOI

      10.1103/physrevb.89.094515

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations2014

    • Author(s)
      T. Tadano, Y. Gohda, S. Tsuneyuki
    • Journal Title

      J. Phys. Condens. Matter

      Volume: 26 Issue: 22 Pages: 225402-225402

    • DOI

      10.1088/0953-8984/26/22/225402

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules2013

    • Author(s)
      T. Kobori, K. Sodeyama, T. Otsuka, Y. Tateyama and S. Tsuneyuki,
    • Journal Title

      J. Chem. Phys.

      Volume: Q139 Issue: 9 Pages: 94113-94113

    • DOI

      10.1063/1.4818599

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006, KAKENHI-PROJECT-23340089
  • [Journal Article] Optical conductivity of highly mismatched GaP alloys2013

    • Author(s)
      Y. Gohda and S. Tsuneyuki,
    • Journal Title

      Appl. Phys. Lett.

      Volume: 102 Pages: 023901-023901

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Ab initio molecular dynamics study of the Helmholtz layer formed on solid-liquid interfaces and its capacitance,2012

    • Author(s)
      Y. Ando, Y. Gohda and S. Tsuneyuki,
    • Journal Title

      Chem. Phys. Lett.

      Volume: 556 Pages: 9-12

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Dependence of the Schottky barrier on the work function at metal/SiON/SiC(0001) interfaces identified by first-principles calculations2012

    • Author(s)
      Y. Ando, Y. Gohda and S. Tsuneyuki,
    • Journal Title

      Surf. Sci.

      Volume: 606 Pages: 1501-1506

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Structural phase transition of graphene caused by GaN epitaxy2012

    • Author(s)
      Y. Gohda and S. Tsuneyuki
    • Journal Title

      Appl. Phys. Lett

      Volume: 100 Issue: 5 Pages: 53111-53111

    • DOI

      10.1063/1.3680100

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21710102, KAKENHI-PLANNED-22104006
  • [Journal Article] 磁性元素が関与しない磁性?:界面・点欠陥の役割を予測2012

    • Author(s)
      合田義弘、押山淳、常行真司
    • Journal Title

      日本物理学会誌

      Volume: 66 Pages: 836-840

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Efficient algorithm of the transcorrelated method for periodic systems2012

    • Author(s)
      Masayuki Ochi, Keitaro Sodeyama, Rei Sakuma, Shinji Tsuneyuki
    • Journal Title

      Journal of Chemical Physics

      Volume: 136 Issue: 9 Pages: 94-108

    • DOI

      10.1063/1.3689440

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-11J08609, KAKENHI-PLANNED-22104006
  • [Journal Article] Two-Dimensional Intrinsic Ferromagnetism at Nitride-Boride Interfaces2011

    • Author(s)
      Y.Gohda, S.Tsuneyuki
    • Journal Title

      Phys.Rev.Lett.

      Volume: 106

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Journal Article] Electron Transport Properties and Dielectric Breakdown of Alkyl Monolayers Chemisorbed on a Highly Doped n-Type Si(111) Surface2009

    • Author(s)
      M. Furuhashi, A. Omura, Y. Yamashita, K. Mukai, J. Yoshinobu, K. Akagi, S. Tsuneyuki
    • Journal Title

      Jpn. J. Appl. Phys 48

      Pages: 55003-55003

    • NAID

      40016585523

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Atomic-layer-resolved Bandgap Structure of an Ultrathin Oxynitride-silicon Film Epitaxially Grown on 6H-SiC(0001)2009

    • Author(s)
      Y. Ando, K. Akagi, S. Tsuneyuki, H. Tochihara
    • Journal Title

      Phys. Rev. B 79

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Molecular Orbital Calculation of Biomolecules with Fragment Molecular Orbitals2009

    • Author(s)
      S. Tsuneyuki, T. Kobori, K. Akagi, K. Sodeyama, K. Terakura, H. Fukuyama
    • Journal Title

      Chem. Phys. Lett 476

      Pages: 104-108

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Molecular Orbital Calculation of Biomolecules with Fragment Molecular Orbitals2009

    • Author(s)
      S.Tsuneyuki
    • Journal Title

      Chem.Phys.Lett. 476

      Pages: 104-108

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] タンパク質の電子状態解析:物性物理的アプローチ2008

    • Author(s)
      赤木和人、小堀知輝、袖山慶太郎、常行真司
    • Journal Title

      固体物理 43

      Pages: 829-838

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Transcorrelated Method : Another Possible Way towards Electronic Structure Calculation of Solids2008

    • Author(s)
      S. Tsuneyuki
    • Journal Title

      Prog. Theo. Phys. Suppl. 176

      Pages: 134-142

    • NAID

      110007081251

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Journal Article] シリコン表面への環化付加反応(総説)2008

    • Author(s)
      赤木和人、常行真司、吉信淳
    • Journal Title

      表面(広信社) 46

      Pages: 348-365

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Sigma-bonding Contribution of a Srong Pi-acceptor Molecule: Surface Chemical Bond of SO2 on Ni(100)2008

    • Author(s)
      T. Tokushima, K. Sodeyama, Y. Harada, Y. Takata, M. Nagasono, Y. Kitajima, Y. Tamenori, H. Ohashi, S. Tsuneyuki, A. Hiraya, S. Shin
    • Journal Title

      Phys. Rev. B 78

      Pages: 85405-85405

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Optical absorption study by ab initio downfolding approach : Application to GaAs2008

    • Author(s)
      K. Nakamura, Y. Yoshimoto, R. Arita, S. Tsuneyuki and M. Imada
    • Journal Title

      Phys. Rev. B77

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Journal Article] Ab initio Derivation of Low-Energy Model for Iron-Based Superconductors LaFeAsO and LaFePO2008

    • Author(s)
      K. Nakamura, Y. Yoshimoto, R. Arita, S. Tsuneyuki and M. Imada
    • Journal Title

      J. Phys. Soc. Jpn. 77

    • NAID

      110006933472

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Journal Article] Transcorrelated Method: Another Possible Way towards Electronic Structure Calculation of Solids2008

    • Author(s)
      S. Tsuneyuki
    • Journal Title

      Prog. Theo. Phys. Suppl 176

      Pages: 134-142

    • NAID

      110007081251

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Origon of strange vibrational spectra of NO on Pt(111) surface2007

    • Author(s)
      H. Aizawa, Y. Morikawa, S. Tsuneyuki, K. Fukutani, T. Ohno
    • Journal Title

      e-J. Surf. Sci. Nanotech. 5

      Pages: 122-122

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Regioselective Cycloaddition Reaction of Alkene Molecules with the Asymmetric Dimer on Si(100)c(4x2)2007

    • Author(s)
      K. Oguchi, M. Nagao, H. Umeyama, T. Katayama, Y. Yamashita, K. Mukai, J. Yoshinobu, K. Akagi, S. Tsuneyuki
    • Journal Title

      J. Am. Chem. Soc 129

      Pages: 1242-1245

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Regioselective cycloaddition reaction of alkene molecules to the asymmetric dimer on Si(100)c(4x2)2007

    • Author(s)
      Kazuhiro Oguchi, Masashi Nagao, Hirobumi Umeyama, Tetsuo Katayama, Yoshiyuki Yamashita, Kozo Mukai, Jun Yoshinobu, Kazuto Akagi, Shinji Tsuneyuki
    • Journal Title

      J.Am.Chem.Soc. 129

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] Regioselective cycloaddition reaction of alkene molecules to the asymmetric dimer on Si(100)c(4×2)2007

    • Author(s)
      K.Oguchi, M.Nagao, H.Umeyama, T.Katayama, Y.Yamashita, K.Mukai, J.Yoshinobu, K.Akagi, S.Tsuneyuki
    • Journal Title

      J. Am. Chem. Soc. 129

      Pages: 1242-1245

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] 計算物理(物性編)2007

    • Author(s)
      常行真司
    • Journal Title

      パリティ 22・1

      Pages: 94-100

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] 計算物理(物性編)2007

    • Author(s)
      常行真司
    • Journal Title

      パリティ 22・3

      Pages: 54-60

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Regioselective cycloaddition reaction of alkene molecules to the asymmetric dimer on Si(100)c(4x2)2007

    • Author(s)
      Kazuhiro Oguchi, Masashi Nagao, Hirobumi Umeyama, Tetsuo Katayama, Yoshiyuki Yamashita, Kozo Mukai, Jun Yoshinobu, Kazuto Akagi, Sinji Tsuneyuki
    • Journal Title

      J. Am. Chem. Soc. 129 129

      Pages: 1242-124

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] Electronic Structure Calculations of Solids with a Similarity-Transformed Hamiltonian2006

    • Author(s)
      R. Sakuma, S. Tsuneyuki
    • Journal Title

      J. Phys. Soc. Jpn 75

      Pages: 103705-103705

    • NAID

      110004821498

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Electronic Structure Calculations of Solids with a Similarity-Transformed Hamiltonian2006

    • Author(s)
      R. Sakuma and S. Tsuneyuki
    • Journal Title

      J. Phys. Soc. Jpn. 75

    • NAID

      110004821498

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Journal Article] Electronic Structure Calculation of Solids with a Similarity-Transformed Hamiltonian2006

    • Author(s)
      R.Sakuma, S.Tsuneyuki
    • Journal Title

      J. Phys. Soc. Jpn. 75

    • NAID

      110004821498

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Direct Observation of Site-specific Valence Electronic Structure at Interface : SiO_2/Si Interface2006

    • Author(s)
      Y.Yamashita, S.Yamamoto, K.Mukai, J.Yoshinobu, Y.Harada, T.Tokushima, T.Takeuchi, Y.Takata, S.Shin, K.Akagi, S.Tsuneyuki
    • Journal Title

      Phys.Rev.B. 73

      Pages: 45336-45336

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] First-principles calculation of effective onsite Coulomb interactions of 3d transition metals : Constrained local density functional approach with maximally localized Wannier functions2006

    • Author(s)
      K. Nakamura, R. Arita, Y. Yoshimoto and S. Tsuneyuki
    • Journal Title

      Phys. Rev. B74

      Pages: 235113-235113

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Journal Article] 計算物理(物性編)2006

    • Author(s)
      常行真司
    • Journal Title

      パリティ 21・11

      Pages: 58-65

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] 計算物理(物性編)2006

    • Author(s)
      常行真司
    • Journal Title

      パリティ 21・7

      Pages: 51-59

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Direct Observation of Site-specific Valence Electronic Structure at Interface : SiO_2/Si Interface2006

    • Author(s)
      Y.Yamashita, S.Yamamoto, K.Mukai, J.Yoshinobu, Y.Harada, T.Tokushima, T.Takeuchi, Y.Takata, S.Shin, K.Akagi, S.Tsuneyuki
    • Journal Title

      Phys. Rev. B. 73

      Pages: 45336-45336

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] 計算物理(物性編)2006

    • Author(s)
      常行真司
    • Journal Title

      パリティ 21・9

      Pages: 58-64

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] 計算物理(物性編)2006

    • Author(s)
      常行真司
    • Journal Title

      パリティ 21・5

      Pages: 47-52

    • Data Source
      KAKENHI-PROJECT-17069013
  • [Journal Article] Site-specific observation of valence electronic state of SiO_2/Si interface by means of soft-X ray emission spectroscopy2005

    • Author(s)
      Y.Yamashita, S.Yamamoto, K.Mukai, J.Yoshinobu, Y.Harada, T.Tokushima, T.Takeuchi, Y.Takata, S.Shin, K.Akagi, S.Tsuneyuki
    • Journal Title

      Hyoumenkagaku 26

      Pages: 514-517

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] 軟X線吸収発光分光法によるSiO_2/Si界面価電子状態のサイト選択的観測2005

    • Author(s)
      山下良之, 山本達, 向井孝三, 吉信淳, 原田慈久, 徳島高, 高田恭孝, 辛埴, 赤木和人, 常行真司
    • Journal Title

      表面科学 26

      Pages: 514-517

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] Structural and chemical property of unsaturated cyclic-hydrocarbon molecules regularly chemisorbed on Si(100)2004

    • Author(s)
      K.Akagi, S.Tsuneyuki, Y.Yamashita, K.Hamaguchi, J.Yoshinobu
    • Journal Title

      Appl.Surf. Sci. 234

      Pages: 162-167

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Journal Article] Structural and chemical property of unsaturated cyclic-hydrocarbon molecules regularly chemisorbed on Si(100)2004

    • Author(s)
      K.Akagi, S.Tsuneyuki, T.Yamashita, K.Hamaguchi, J.Yoshinobu
    • Journal Title

      Appl. Surf. Sci. 234

      Pages: 162-167

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16310070
  • [Presentation] 材料研究のためのマルチモーダルコンピューティング2023

    • Author(s)
      常行真司
    • Organizer
      「再生可能エネルギー最大導入に向けた電気化学材料研究拠点」発足記念シンポジウム
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 双極子モーメントの機械学習モデルによる誘電特性の研究2023

    • Author(s)
      天野智仁,山崎民雄,明石遼介,常行真司
    • Organizer
      日本物理学会2023年春季大会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 双極子モーメントの機械学習モデルによる誘電特性の研究2023

    • Author(s)
      天野智仁,山崎民雄,明石遼介,常行真司
    • Organizer
      計算物理 春の学校 2023
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] データ同化手法による多相の結晶構造同定2023

    • Author(s)
      久保祐貴,佐藤龍平,石河孝洋,常行真司
    • Organizer
      日本物理学会2024年春季大会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] First principles study of lattice dielectric function2022

    • Author(s)
      Tomohito Amano, Tamio Yamazaki, Ryosuke Akashi, Terumasa Tadano, Shinji Tsuneyuki
    • Organizer
      33rd IUPAP Conference on Computational Physics (CCP2023)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Accelerating Simulated Annealing with Data Assimilation Application to Amorphous Ice2022

    • Author(s)
      Yuansheng Zhao, Ryuhei Sato, Shinji Tsuneyuki
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の新展開」
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] データ同化構造探索手法のアモルファス系への応用2022

    • Author(s)
      趙元晟, 佐藤龍平, 常行真司
    • Organizer
      日本物理学会2022年秋季大会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 見えない水素を計算機で“見る”ー 水素を含む物質の第一原理計算とデータ同化 ー2022

    • Author(s)
      常行真司
    • Organizer
      水素連携研究会 第2回トピックス研究会(物理学分科会)
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] LiCB9H10のLi集団運動による伝導機構の解析2022

    • Author(s)
      佐藤 龍平, 佐藤 豊人, 本田 孝志, 大友 季哉, 折茂 慎一, 常行 真司
    • Organizer
      日本物理学会 第77回年次大会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Theoretical Exploration of Hydride Superconductors2022

    • Author(s)
      Shinji Tsuneyuki
    • Organizer
      2nd International Conference on Trans-Scale Quantum Science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 物質・材料の構造シミュレーションとデータ同化2022

    • Author(s)
      常行真司
    • Organizer
      第2回CRESTナノ力学研究会:「マルチスケールシミュレーション」
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] ルチル型 TiO2における格子誘電関数の第一原理的研究2022

    • Author(s)
      天野智仁, 山崎民雄, 明石遼介, 常行真司, 只野央将
    • Organizer
      日本物理学会2022年秋季大会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] ルチル型TiO2 における格子誘電関数の第一原理的研究2022

    • Author(s)
      天野 智仁, 山崎民雄, 明石遼介, 常行真司,
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の新展開」
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] "The Study on Superionic Conductivity of LiCB9H10 by Ab Initio and Neural-Net Potential Molecular Dynamic Simulations"2022

    • Author(s)
      R. Sato, T. Sato, T. Honda, T. Otomo, S. Orimo and S. Tsuneyuki
    • Organizer
      Summit of Materials Science 2022 and GIMRT User Meeting 2022 Affliated with KINKEN WAKATE 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Molecular Dynamic Study of the Relationship between Li-ion Migration and Disordering of Hydride Complexes in LiCB9H102021

    • Author(s)
      R. Sato, T. Sato, T. Honda, T. Otomo, S. Orimo and S. Tsuneyuki
    • Organizer
      XXXII IUPAP Conference on Computational Physics (CCP2021)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Molecular Dynamic Study of the Relationship between Li-ion Migration and Disordering of CB9H10- Complexes in LiCB9H102021

    • Author(s)
      R. Sato, T. Sato, T. Honda, T. Otomo, S. Orimo and S. Tsuneyuki
    • Organizer
      Materials Research Meetings 2021 (MRM2021
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] First-principles material simulation and beyond2021

    • Author(s)
      S. Tsuneyuki
    • Organizer
      MANA International Symposium 2021 Jointly with ICYS
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 計測とシミュレーションの水素データ同化2021

    • Author(s)
      常行真司
    • Organizer
      日本化学会第101春季年会
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] First-principles material simulation and beyond2021

    • Author(s)
      S. Tsuneyuki
    • Organizer
      MANA International Symposium 2021 Jointly with ICYS
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] イットリウム酸水素化物薄膜のフォトクロミズム反応に関する第一原理計算2021

    • Author(s)
      佐藤 龍平, 小松 遊矢, 清水 亮太, 福谷 克之, 一杉 太郎, 常行 真司
    • Organizer
      第4回ハイドロジェノミクス研究会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] マテリアルズインフォマティクスの近況について2021

    • Author(s)
      常行真司
    • Organizer
      物性研究所研究会「物性科学におけるデータ科学の今と未来」
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] マテリアルズインフォマティクスの近況について2021

    • Author(s)
      常行真司
    • Organizer
      物性研究所研究会「物性科学におけるデータ科学の今と未来」
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Computational materials science from first principles, from data, and in between2021

    • Author(s)
      S. Tsuneyuki
    • Organizer
      Int. Conf. on Discrete Geometric Analysis for Materials Design
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] LiCB9H10のLi伝導機構に関する分子動力学計算2021

    • Author(s)
      佐藤 龍平, 佐藤 豊人, 吉川 誠司, 本田 孝志, 大友 季哉, 折茂 慎一, 常行 真司:
    • Organizer
      日本物理学会 第76回年次大会
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 計測とシミュレーションの水素データ同化2021

    • Author(s)
      常行真司
    • Organizer
      日本化学会第101春季年会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Crystal structure prediction by assimilating incomplete powder diffraction data2020

    • Author(s)
      S. Tsuneyuki
    • Organizer
      Conference on a Fair Data Infrastructure for Materials Genomics
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 不完全な粉末回折実験データを用いたデータ同化結晶構造探索2020

    • Author(s)
      常行真司
    • Organizer
      787th ASRC Seminar,
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 計測とシミュレーションの水素データ同化2020

    • Author(s)
      常行真司
    • Organizer
      日本物理学会2020年秋季大会シンポジウム
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 計測とシミュレーションの水素データ同化2020

    • Author(s)
      常行真司
    • Organizer
      日本物理学会2020年秋季大会シンポジウム
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 不完全な粉末回折実験データを用いたデータ同化結晶構造探索2020

    • Author(s)
      常行真司
    • Organizer
      787th ASRC Seminar,
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] Crystal Structure Prediction of Li(CB9H10) by XRD-assisted molecular dynamic simulation2020

    • Author(s)
      R. Sato, T. Sato, T. Honda, T. Otomo, S. Orimo, S. Tsuneyuki
    • Organizer
      1st International Symposium “Hydrogenomics” combined with 14th International Symposium Hydrogen & Energy
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 不完全な実験データを用いたデータ同化結晶構造探索2019

    • Author(s)
      常行真司
    • Organizer
      早稲田大学材研オープンセミナー
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 計算物質科学の立場からの新物質開発について2019

    • Author(s)
      常行真司
    • Organizer
      第9回電子光技術シンポジウム「機能性マテリアルの設計と実証 ―電子・光デバイスのイノベーション開拓に向けて-」
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 不完全な実験データを用いたデータ同化結晶構造探索2019

    • Author(s)
      常行真司
    • Organizer
      早稲田大学材研オープンセミナー
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 物質と材料の計算科学2019

    • Author(s)
      常行真司
    • Organizer
      日本物理学会第74回年次大会(2019年)シンポジウム「計算物理学への誘い」
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] データ科学と計算・実験の連携による物質・材料研究2019

    • Author(s)
      常行真司
    • Organizer
      第24回電子デバイス界面テクノロジ-研究会-材料・プロセス・デバイス特性の物理-
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] CrystalStructure Prediction by Assimilating Incomplete Powder Diffraction Data2019

    • Author(s)
      S. Tsuneyuki
    • Organizer
      The 18th International Conference on Density Functional Theory and its Applications (DFT2019)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] First-principles material simulation and beyond2019

    • Author(s)
      S. Tsuneyuki
    • Organizer
      Materials Research Meeting 2019 (MRM2019)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 計算物質科学の立場からの新物質開発について2019

    • Author(s)
      常行真司
    • Organizer
      第9回電子光技術シンポジウム「機能性マテリアルの設計と実証ー電子・光デバイスのイノベーション開拓に向けて
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] Crystal Structure Prediction by Assimilating Incomplete Powder Diffraction Data2019

    • Author(s)
      S. Tsuneyuki
    • Organizer
      The 18th International Conference on Density Functional Theory and its applications
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05519
  • [Presentation] 不完全な粉末回折データを用いたデータ同化による結晶構造探索2018

    • Author(s)
      吉川誠司、辻本直人、足立大樹、明石遼介、藤堂眞治、常行真司
    • Organizer
      第12回物性科学領域横断研究会
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 化学組成比と結晶構造を決定するためのデータ同化シミュレーション手法2018

    • Author(s)
      辻本直人、足立大樹、明石遼介、藤堂眞治、常行真司
    • Organizer
      日本物理学会2018年秋季大会
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] Crystal structure simulation by assimilating incomplete powder diffraction data: First application to magnetic material2018

    • Author(s)
      Seiji Yoshikawa, Naoto Tsujimoto, Daiki Adachi, Ryosuke Akashi, Synge Todo and Shinji Tsuneyuki
    • Organizer
      3rd International Symposium on Research and Education of Computational Science (RECS2018)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] データ科学と計算・実験の連携による材料研究への期待2018

    • Author(s)
      常行真司
    • Organizer
      第24期日本学術会議 第3部化学委員会 材料化学分科会
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 物質中の水素は計算機でどう”見える”か?2018

    • Author(s)
      常行真司
    • Organizer
      第1回ヒドリドイオニクス研究会
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] データ科学と計算・実験の連携による物質・材料研究2018

    • Author(s)
      常行真司
    • Organizer
      2018年表面真空学会学術講演会
    • Invited
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 不完全な回折実験データを利用した結晶構造予測2017

    • Author(s)
      辻本直人, 足立大樹, 明石遼介, 藤堂眞治, 常行真司
    • Organizer
      ポスト「京」プロジェクト課題7「共通基盤シミュレーション手法」研究会
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] Crystal structure prediction supported by Insufficient experimental data2017

    • Author(s)
      N. Tsujimoto, D. Adachi, R. Akashi, S. Todo and S. Tsuneyuki
    • Organizer
      International Symposium on Research and Education in Computational Science (RECS) 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 分割統治電子状態計算法の開発と ハイブリッド汎関数への適用2017

    • Author(s)
      山田俊介,下條冬樹,明石遼介,常行真司
    • Organizer
      日本物理学会第72回年次大会
    • Place of Presentation
      大阪大学(大阪府・豊中市)
    • Year and Date
      2017-03-20
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] Crystal structure prediction supported by Incomplete diffraction data2017

    • Author(s)
      N. Tsujimoto, D. Adachi, R. Akashi, S. Todo and S. Tsuneyuki
    • Organizer
      The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC10)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 電子論とシミュレーションとAIによる次世代材料開発2017

    • Author(s)
      常行真司
    • Organizer
      第10回東京大学-NTT技術交流会
    • Invited
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] 不完全な実験データを利用した結晶構造予測2017

    • Author(s)
      辻本直人, 足立大樹, 明石遼介, 藤堂眞治, 常行真司
    • Organizer
      第3回CDMSI(ポスト「京」重点課題(7))シンポジウム
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 不完全な回折実験データを利用した結晶構造予測2017

    • Author(s)
      辻本直人, 足立大樹, 明石遼介, 藤堂眞治, 常行真司
    • Organizer
      日本物理学会2017年秋季大会
    • Data Source
      KAKENHI-PROJECT-17H02930
  • [Presentation] 物質構造と電子状態の第一原理シミュレーション手法の開発と応用2017

    • Author(s)
      常行真司
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会
    • Invited
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] 分割統治法の部分系軌道を用いた大規模系一電子ハミルトニアンの次元縮約2016

    • Author(s)
      山田俊介,明石遼介,常行真司
    • Organizer
      日本物理学会第71回年次大会
    • Place of Presentation
      東北学院大学(宮城県・仙台市)
    • Year and Date
      2016-03-22
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] 第一原理からの物性モデリングとポスト「京」/マテリアルズインフォマティクス時代への展望2016

    • Author(s)
      常行真司
    • Organizer
      TCCI第6回研究会
    • Place of Presentation
      分子科学研究所(愛知県・岡崎市)
    • Year and Date
      2016-03-15
    • Invited
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] An efficient post processing method for eigenstate calculations of large systems based on the ab initio divide-and-conquer method2016

    • Author(s)
      S. Yamada, R. Akashi and S. Tsuneyuki
    • Organizer
      The 19th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Hsinchu (Taiwan)
    • Year and Date
      2016-11-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] 大規模並列計算のための分割統治法に基づく一電子エネルギースペクトル計算手法2015

    • Author(s)
      山田俊介,明石遼介,合田義弘,常行真司
    • Organizer
      日本物理学会第70回年次大会
    • Place of Presentation
      早稲田大学(東京)
    • Year and Date
      2015-03-24
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] A new method for calculating one-electron energy spectrum of a large system based on a first-principles divide-and-conquer method2015

    • Author(s)
      Shunsuke Yamada, Ryosuke Akashi, Shinji Tsuneyuki
    • Organizer
      Psi-k 2015 Conference
    • Place of Presentation
      San Sebastian (Spain)
    • Year and Date
      2015-09-09
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] 分割統治法に基づく大規模系一電子エネルギースペクトルの第一原理計算手法2014

    • Author(s)
      山田俊介,合田義弘,常行真司
    • Organizer
      日本物理学会 年次大会
    • Place of Presentation
      中部大学(春日井市)
    • Year and Date
      2014-09-10
    • Data Source
      KAKENHI-PROJECT-26286085
  • [Presentation] SrTiO3におけるフォノン準粒子とその温度依存性の第一原理計算2014

    • Author(s)
      只野央将,常行真司
    • Organizer
      日本物理学会2014年秋季大会
    • Place of Presentation
      中部大学(愛知県春日井市)
    • Year and Date
      2014-09-07
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Computer Experiments for Materials Science2013

    • Author(s)
      S. Tsuneyuki
    • Organizer
      International Symposium on Recent Trend of Interdisciplinary Research of Physics, Earth and Space Science
    • Place of Presentation
      Osaka Univ.(Osaka)
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「計算材料科学の現状と課題」2013

    • Author(s)
      常行真司
    • Organizer
      計算材料科学と数学の協働によるスマート材料デザイン手法の探索~階層構造を解析する~
    • Place of Presentation
      東北大学原子分子材料科学高等研究機構(宮城県)
    • Year and Date
      2013-03-13
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「トランスコリレイティッド法と乱雑位相近似に基づく相関波動関数の最適化とその固体バンド計算への適用」2013

    • Author(s)
      越智正之, 常行真司
    • Organizer
      物性研究所共同利用スーパーコンピュータ 計算物質科学研究センター(CCMS)・元素戦略プロジェクト合同研究会「計算物性物理学の新展開」
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Year and Date
      2013-01-10
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ポテンシャルエネルギー曲面の非調和性を用いた物質構造探索2013

    • Author(s)
      遠藤辰哉,合田義弘,常行真司
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学(広島県)
    • Year and Date
      2013-03-26
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 第一原理からの熱科学:非調和格子振動のモデリングと熱伝導計算2013

    • Author(s)
      常行真司
    • Organizer
      第7回物性科学領域横断研究会「凝縮系科学の最前線」
    • Place of Presentation
      東京大学(東京都)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「RPAとトランスコリレイティッド法に基づく固体のジャストロウ因子の最適化」2013

    • Author(s)
      越智正之, 常行真司
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学(広島県)
    • Year and Date
      2013-03-26
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「クラスレート化合物BGG, BGSの熱伝導」2013

    • Author(s)
      S. Tsuneyuki,
    • Organizer
      CMSI産官学連続研究会「熱マネジメント技術を支える材料シミュレーション」
    • Place of Presentation
      秋葉原UDX(東京都)
    • Year and Date
      2013-03-12
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「第一原理に基づくI型クラスレート化合物の格子熱伝導解析」2013

    • Author(s)
      只野央将,合田義弘,常行真司
    • Organizer
      計算物性物理学の新展開
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Year and Date
      2013-01-10
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ポテンシャル面の非調和性を用いた物質構造探索2013

    • Author(s)
      遠藤辰哉,合田義弘,常行真司
    • Organizer
      計算材料科学と数学の協働によるスマート材料デザイン手法の探索ー階層構造を解析するー,
    • Place of Presentation
      東北大学(宮城県)
    • Year and Date
      2013-03-13
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ``New method for calculating the optical absorption spectrum for solids using the transcorrelated method'',2013

    • Author(s)
      M. Ochi and S. Tsuneyuki,
    • Organizer
      March meeting of The American Physical Society,
    • Place of Presentation
      Baltimore, USA,
    • Year and Date
      2013-03-19
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「ハイブリッド密度汎関数理論に基づく擬ポテンシャルの開発とその応用」2013

    • Author(s)
      山本良幸、合田義弘、常行真司
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学(広島県)
    • Year and Date
      2013-03-27
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「I型クラスレート化合物におけるフォノン伝導特性の第一原理計算」2013

    • Author(s)
      只野央将,合田義弘,常行真司
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学(広島県)
    • Year and Date
      2013-03-26
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ``Optimization of the Jastrow factor based on pseudo-variance minimization with a similarity-transformed Hamiltonian'',2012

    • Author(s)
      M. Ochi and S. Tsuneyuki,
    • Organizer
      MAterial Simulation in Petaflops era (MASP 2012)
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Year and Date
      2012-07-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「固液界面の電気二重層キャパシタンスに関する第一原理計算」2012

    • Author(s)
      安藤 康伸、合田 義弘、常行 真司
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-09-20
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 第一原理非調和格子モデルを用いたナノワイヤの熱伝導率計算2012

    • Author(s)
      只野央将, 合田義弘, 常行真司
    • Organizer
      日本物理学会2011年秋季大会
    • Place of Presentation
      富山大学、富山市
    • Year and Date
      2012-09-24
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「hybrid密度汎関数理論に基づく擬ポテンシャルの開発」2012

    • Author(s)
      山本良幸、合田義弘、常行真司
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-09-19
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Transcorrelated method: a feasible and self-consistent wave function theory for solids',2012

    • Author(s)
      S. Tsuneyuki,
    • Organizer
      Asian Workshop on First-Principles Electronic Structure Calculations (Asian-15),
    • Place of Presentation
      Taipei,Taiwan
    • Year and Date
      2012-11-05
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「超伝導密度汎関数理論による軽元素超伝導体の第一原理計算」2012

    • Author(s)
      河村光晶,合田義弘,常行真司
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-09-18
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-Principles Study of Ferroelectricity of BaTiO$_3$ under Carrier Electron Doping:2012

    • Author(s)
      Yoshiki Iwazaki, Youichi Mizuno, and Shinji Tsuneyuki:
    • Organizer
      The 6th International Conference on the Science and Technology for Advanced Ceramics (STAC-6),
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-06-26
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] "Atomistic studies on the reduced thermal conductivity of a thermoelectric clathrate {Ba}$_{8}$Ga$_{16}$Sn$_{30}$, "2012

    • Author(s)
      T. Tadano, Y. Gohda and S. Tsuneyuki
    • Organizer
      ISC-QSD,
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2012-10-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] "New Application of Tetrahedron Method for Brillouin-Zone Integrations: Calculations of Phonons in Metal, "2012

    • Author(s)
      Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki:
    • Organizer
      GCOE International Symposium on Physical Sciences Frontier,
    • Place of Presentation
      東京大学本郷キャンパス(東京都)
    • Year and Date
      2012-12-08
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] "First-principles studies on vibrational and transport properties of phonons in thermoelectric clathrates {Ba}$_{8}${Ga}$_{16}${X}$_{30}$({X}={Ge, Sn}) "2012

    • Author(s)
      T. Tadano, Y. Gohda and S. Tsuneyuki:
    • Organizer
      ASIAN-15,
    • Place of Presentation
      Taiwan,Taipei
    • Year and Date
      2012-11-06
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Effects of impurity hydrogen in rutile TiO$_2$ :2012

    • Author(s)
      K. Yoshizawa, Y. Iwazaki, Y. Gohda and S. Tsuneyuki:
    • Organizer
      "Density-functional calculation, ISC-QSD, "
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2012-10-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] "Ab initio prediction of superconducting transition temperatures based on SCDFT International Symposium on Computics: "2012

    • Author(s)
      Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki
    • Organizer
      Quantum Simulation and Design (ISC-QSD),
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2012-10-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ``A new method to optimize the Jastrow factor using the transcorrelated method and RPA'',2012

    • Author(s)
      M. Ochi and S. Tsuneyuki,
    • Organizer
      International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2012-10-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] "First-principles studies on the reduced thermal conductivity of a clathrate {Ba}$_{8}${Ga}$_{16}${Sn}$_{30}$, "2012

    • Author(s)
      T. Tadano, Y. Gohda and S. Tsuneyuki:
    • Organizer
      CCP2012,
    • Place of Presentation
      ニチイ学館(兵庫県)
    • Year and Date
      2012-10-15
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 超球面探索法と力場反転法による構造探索2012

    • Author(s)
      遠藤辰哉,合田義弘,常行真司
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-09-18
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Development of numerical codes for ab initio prediction of superconducting transition temperature,2012

    • Author(s)
      Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki
    • Organizer
      "ISSP-CMSI international symposium of Materiel Simulation in Petaflops era(MASP2012) "
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Year and Date
      2012-07-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ``Optimization of the Jastrow factor in the correlated wave function of electrons using the first-principles transcorrelated method for solid-state calculations'',2012

    • Author(s)
      M. Ochi and S. Tsuneyuki,
    • Organizer
      Conference on Computational PHysics (CCP2012)
    • Place of Presentation
      ニチイ学館(兵庫県)
    • Year and Date
      2012-10-15
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 第一原理分子動力学計算による電気二重層キャパシタンスの非経験的評価2012

    • Author(s)
      安藤康伸, 合田義弘, 常行真司
    • Organizer
      物性研究所共同利用スパコン成果報告会
    • Place of Presentation
      東京大学、文京区
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] "Anharmonic force constants from first-principles molecular dynamics simulations: "2012

    • Author(s)
      T. Tadano, Y. Gohda and S. Tsuneyuki
    • Organizer
      "Applications to lattice thermal conductivity calculations, MASP2012, "
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Year and Date
      2012-07-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「第一原理トランスコリレイティッド法に基づくジャストロウ因子最適化の新手法」2012

    • Author(s)
      越智正之, 常行真司
    • Organizer
      第3回CMSI研究会~超並列計算が拓く新しい計算物質科学~
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)
    • Year and Date
      2012-12-03
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Ab initio molecular dynamics study of the electric double-layer capacitance at solution-electrode interfaces2012

    • Author(s)
      安藤康伸, 合田義弘, 常行真司
    • Organizer
      American Physical Society March meeting
    • Place of Presentation
      Boston, USA
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Structural exploration Utilizing Anharmonicity of Potential Energy Surfaces,2012

    • Author(s)
      T. Endo, Y. Gohda, S. Tsuneyuki:
    • Organizer
      15th Asian Workshop on FIrst-Principles Electronic Structure Calculations,
    • Place of Presentation
      Taipei,Taiwan
    • Year and Date
      2012-11-05
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「熱電変換材料におけるフォノン伝導特性の第一原理計算」,2012

    • Author(s)
      只野央将,合田義弘,常行真司
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-09-19
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Atomistic Modeling of Materials Based on First-Principles Calculation',2012

    • Author(s)
      S. Tsuneyuki,
    • Organizer
      The Seventh General Meeting of ACCMS-VO,
    • Place of Presentation
      東北大学(宮城県)
    • Year and Date
      2012-11-23
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「第一原理計算によるBaTiO$_3$の電子誘起相転移現象の解析」2012

    • Author(s)
      岩崎誉志紀、鈴木利昌、水野洋一、常行真司
    • Organizer
      第32回エレクトロセラミックス研究討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京都)
    • Year and Date
      2012-10-26
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Ab Initio Prediction of Superconducting TC: with Accurate Calculation of Phonons,2012

    • Author(s)
      Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki:
    • Organizer
      15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15),
    • Place of Presentation
      Taipei,Taiwan
    • Year and Date
      2012-11-06
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「コンピュータ上に『物質』をつくる ―スーパーコンピュータを用いた物質科学研究入門―」2012

    • Author(s)
      常行真司
    • Organizer
      日本物理学会市民向け講演会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-09-22
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ``Optimization of the Jastrow factor by RPA and pseudo-variance minimization using the transcorrelated Hamiltonian for periodic systems'',2012

    • Author(s)
      M. Ochi and S. Tsuneyuki,
    • Organizer
      15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15),
    • Place of Presentation
      Taipei,Taiwan
    • Year and Date
      2012-11-05
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 「大規模計算による計算物質科学の現状と未来」2012

    • Author(s)
      常行真司
    • Organizer
      第1回 RSC/CMSI合同セミナー「マルチスケール構造化学を拓く高エネルギー光科学と計算科学の戦略
    • Place of Presentation
      (独)理化学研究所 播磨研究所 (兵庫県)
    • Year and Date
      2012-09-15
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Possibility of two-dimensional ferromagnetism at nitride-boride interfaces2011

    • Author(s)
      合田義弘、常行真司
    • Organizer
      The 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13)
    • Place of Presentation
      Praha, Czech Republic
    • Year and Date
      2011-07-05
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] ナノ構造体の熱伝導計算に向けて2011

    • Author(s)
      常行真司
    • Organizer
      計算材料科学研究拠点第2回シンポジウム
    • Place of Presentation
      東北大学金属材料研究所仙台市(招待講演)
    • Year and Date
      2011-11-06
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Non-equilibrium heat transfer simulation with first-principles anharmonic lattice model2011

    • Author(s)
      只野央将, 合田義弘, 常行真司
    • Organizer
      7th US-Japan Joint Seminar on Nanoscale Transport Phenomena
    • Place of Presentation
      三重県、志摩市
    • Year and Date
      2011-12-12
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-principles study of the electric double-layer capacitance of water/Al interfaces2011

    • Author(s)
      安藤康伸, 合田義弘, 常行真司
    • Organizer
      The 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13)
    • Place of Presentation
      Praha, Czech Republic
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Intrinsic ferromagnetism at AlN-MgB_2 interfaces2011

    • Author(s)
      Y.Gohda, S.Tsuneyuki
    • Organizer
      American Physical Society March Meeting
    • Place of Presentation
      Dallas, TX, USA
    • Year and Date
      2011-03-22
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Magnetism at interfaces consisting of nonmagnetic materials2011

    • Author(s)
      合田義弘、常行真司
    • Organizer
      International Focus Workshop on Quantum Simulations and Design (QSD2011)
    • Place of Presentation
      Dresden, Germany
    • Year and Date
      2011-09-27
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-principles study of the electric double-layer capacitance at water-graphene interfaces2011

    • Author(s)
      安藤康伸, 合田義弘, 常行真司
    • Organizer
      The 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN14)
    • Place of Presentation
      東京大学、文京区
    • Year and Date
      2011-11-01
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 水-金属界面系の電気二重層キャパシタンスに関する第一原理計算2011

    • Author(s)
      安藤康伸, 合田義弘, 常行真司
    • Organizer
      日本物理学会2011年秋季大会
    • Place of Presentation
      富山大学、富山市
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 窒化物界面における遍歴強磁性の第一原理計算2011

    • Author(s)
      合田義弘、常行真司
    • Organizer
      日本金属学会2011年度秋季大会
    • Place of Presentation
      沖縄コンベンションセンター宜野湾市
    • Year and Date
      2011-11-08
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Lattice thermal conductivity with first-principles anharmonic lattice model2011

    • Author(s)
      T.Tadano, Y.Gohda, S.Tsuneyuki
    • Organizer
      American Physical Society March Meeting
    • Place of Presentation
      Dallas, TX, USA
    • Year and Date
      2011-03-21
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Structure and electronic properties of nitride interfaces2011

    • Author(s)
      合田義弘、常行真司
    • Organizer
      The 14th Asian Workshop on First-Priniples Electronic Structure Calculation (ASIAN14)
    • Place of Presentation
      東京大学、文京区
    • Year and Date
      2011-11-01
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 熱伝導現象の第一原理計算2011

    • Author(s)
      常行真司
    • Organizer
      日本物理学会2011年秋季大会シンポジウム
    • Place of Presentation
      富山大学、富山市(招待講演)
    • Year and Date
      2011-09-23
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Thermal conductivity calculations of semiconductors from first-principles anharmonic lattice model2011

    • Author(s)
      只野央将, 合田義弘, 常行真司
    • Organizer
      The 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN14)
    • Place of Presentation
      東京大学、文京区
    • Year and Date
      2011-11-01
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 次世代スパコン戦略機関と第一原理電子状態計算の挑戦的課題2011

    • Author(s)
      常行真司
    • Organizer
      CMDワークショップ
    • Place of Presentation
      大阪大学
    • Year and Date
      2011-09-10
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Interface atomic structures and electronic properties of group-III nitrides2010

    • Author(s)
      Y.Gohda, S.Tsuneyuki
    • Organizer
      Psi-k Conference 2010
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2010-09-13
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Acceleration of the transcorrelated method for solids2010

    • Author(s)
      K.Sodeyama, M.Ochi, R.Sakuma, S.Tsuneyuki.
    • Organizer
      American Physical Society March Meeting 2010
    • Place of Presentation
      ポートランド(アメリカ)
    • Year and Date
      2010-03-16
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Presentation] 波動関数理論にもとづく凝縮系の電子状態計算2010

    • Author(s)
      常行真司
    • Organizer
      スーパーコンピーターワークショップ2010
    • Place of Presentation
      自然科学研究機構岡崎コンファレンスセンター(岡崎市)
    • Year and Date
      2010-01-14
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Presentation] 第一原理非調和格子モデルによる格子熱伝導計算2010

    • Author(s)
      只野央将, 合田義弘、常行真司
    • Organizer
      日本物理学会2010年秋季大会
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2010-09-26
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Transcorrelated method applied to solids : numerical assessment of the SCF effect2009

    • Author(s)
      K. Sodeyama, R. Sakuma, S. Tsuneyuki
    • Organizer
      APS March Meeting
    • Place of Presentation
      Pennsylvania, Pittsburgh
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Presentation] Transcorrelated method applied to solids : wavefunction approach including electron correlation effects2009

    • Author(s)
      K.Sodeyama, R.Sakuma, S.Tsuneyuki
    • Organizer
      The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Institute of Physics
    • Place of Presentation
      Institute of Physics, CAS, Beijing(中国)
    • Year and Date
      2009-10-26
    • Data Source
      KAKENHI-PROJECT-17069013
  • [Presentation] Transcorrelated method applied to covalent and ionic solids :tatal energy and band structure calculation2008

    • Author(s)
      K. Sodeyama, S. Tsuneyuki, R. Sakuma
    • Organizer
      APS March Meeting
    • Place of Presentation
      Louisiana, New Orleans
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Presentation] A New Variational Approach to Strogly Correlated Electrons : from 1D Hubbard Model to the First-Principles Hamiltonian2007

    • Author(s)
      S. Tsuneyuki
    • Organizer
      YKIS2007 "Interaction and Nanostructural Effects in Low-Dimensional Systems", Symposium
    • Place of Presentation
      Kyoto, Japan
    • Year and Date
      2007-11-23
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Presentation] Bandstructure calculations using the Transcorrelated metheod2007

    • Author(s)
      R. Sakuma, K. Sodeyama, S. Tsuneyuki
    • Organizer
      2007 APS March Meeting
    • Place of Presentation
      Denver, Colorado
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Presentation] Transcorrelated method : Use of a Similarity Transformed Hamiltonian in Electronic Structure Calculations2006

    • Author(s)
      R. Sakuma, K. Sodeyama, S. Tsuneyuki
    • Organizer
      International Conference on Quantum Simulators and Design
    • Place of Presentation
      Hiroshima, Japan
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Presentation] Transcorrelated method : A new first-principles theory for solids2005

    • Author(s)
      S. Tsuneyuki
    • Organizer
      PACIFICHEM 2005
    • Place of Presentation
      Honolulu, Hawaii
    • Data Source
      KAKENHI-PROJECT-17064004
  • [Presentation] Transcorrelated method : A new first-principles theory for solids2005

    • Author(s)
      S.Tsuneyuki
    • Organizer
      PACIFICHEM 2005
    • Place of Presentation
      Honolulu(invited)
    • Data Source
      KAKENHI-PROJECT-17064005
  • [Presentation] 半導体における高次フォノン散乱効果の理論解析

    • Author(s)
      只野央将,合田義弘,常行真司
    • Organizer
      日本物理学会2013年秋季大会
    • Place of Presentation
      徳島大学・常三島キャンパス(徳島県)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Toward Accurate Calculation of Electronic and Structural Properties of Materials from First Principles

    • Author(s)
      S. Tsuneyuki
    • Organizer
      The 9th General Meeting of ACCMS-VO
    • Place of Presentation
      沖縄科学技術大学院大学(沖縄県国頭郡)
    • Year and Date
      2014-12-20 – 2014-12-22
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 線形応答計算に現れる Brillouin 領域積分のための改良テトラへドロン法の開発

    • Author(s)
      河村光晶, 合田義弘, 常行真司
    • Organizer
      日本物理学会2013年度秋季大会
    • Place of Presentation
      徳島大学・常三島キャンパス(徳島県)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 非調和効果を考慮した立方晶SrTiO3のフォノン分散計算

    • Author(s)
      只野央将,常行真司
    • Organizer
      第8回物性科学領域横断研究会
    • Place of Presentation
      大阪大学(大阪府豊中市)
    • Year and Date
      2014-11-21 – 2014-11-22
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-principles study of anharmonic phonon lifetimes in thermoelectric materials

    • Author(s)
      T. Tadano, Y. Gohda and S. Tsuneyuki
    • Organizer
      The 16th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Beijing Computatiomal Science Research Center (China)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 改良テトラへドロン-Brillouin 領域積分法による 金属中のフォノンの第一原理計算

    • Author(s)
      河村光晶, 合田義弘, 常行真司
    • Organizer
      科研費新学術研究「コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス」平成25年度研究会
    • Place of Presentation
      東京大学(東京都)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-principles analysis of anharmonic nuclear motion and thermal transport in thermoelectric materials

    • Author(s)
      T. Tadano, S. Tsuneyuki
    • Organizer
      The 11th International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2015)
    • Place of Presentation
      Athens (Greece)
    • Year and Date
      2015-03-20 – 2015-03-23
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] 熱電材料I型クラスレートにおけるフォノン-フォノン相互作用の体積依存性

    • Author(s)
      只野央将,合田義弘,常行真司
    • Organizer
      科研費新学術研究「コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス」平成25年度研究会
    • Place of Presentation
      東京大学(東京都)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-principles calculation of finite-temperature phonons in cubic perovskite SrTiO3

    • Author(s)
      T. Tadano, S. Tsuneyuki
    • Organizer
      The 2nd International Symposium on Computics: Quantum Simulation and Design (ISC-QSD 2014)
    • Place of Presentation
      東京大学(東京都文京区)
    • Year and Date
      2014-12-01 – 2014-12-03
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] An ab initio study of the effect of host-guest interaction on thermal transport in Ba8Ga16Ge30

    • Author(s)
      T. Tadano, Y. Gohda and S. Tsuneyuki
    • Organizer
      APS March meeting 2014
    • Place of Presentation
      Colorado Convention Center (USA)
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Improved tetrahedron method for the Brillouin-zone integration applicable to DFPT calculations

    • Author(s)
      M. Kawamura, Y. Gohda and S. Tsuneyuki
    • Organizer
      International Symposium on Computics: Quantum Simulation and Design (ISC-QSD 2014)
    • Place of Presentation
      東京大学(東京都文京区)
    • Year and Date
      2014-12-01 – 2014-12-03
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] Atomistic Modeling of Materials Based on First-Principles Calculation

    • Author(s)
      S. Tsuneyuki
    • Organizer
      The 10th NOBUGS conference
    • Place of Presentation
      KEK(茨城県つくば市)
    • Year and Date
      2014-09-24 – 2014-09-26
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104006
  • [Presentation] First-principles calculation of finite-temperature phonons in cubic perovskite SrTiO3

    • Author(s)
      T. Tadano, S. Tsuneyuki
    • Organizer
      Computational Science Workshop 2014 (CSW2014)
    • Place of Presentation
      産業技術総合研究所(茨城県つくば市)
    • Year and Date
      2014-08-20 – 2014-08-22
    • Data Source
      KAKENHI-PLANNED-22104006
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