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Nagashima Umpei  長嶋 雲兵

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… Alternative Names

NAGASHIMA Umpei  長嶋 雲兵

長嶋 雲平  ナガシマ ウンペイ

長島 雲平  ナガシマ ウンペイ

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Researcher Number 90164417
External Links
Affiliation (Current) 2022: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 客員教授
Affiliation (based on the past Project Information) *help 2015: 横浜市立大学, 生命ナノシステム科学研究科, 客員教授
2015: 独立行政法人産業技術総合研究所, ナノシステム研究部門, 総括研究主幹
2012 – 2014: 独立行政法人産業技術総合研究所, その他部局等, 研究員
2013: 独立行政法人産業技術総合研究所, ナノシステム研究部門, 総括研究主幹
2009 – 2011: 独立法人産業技術総合研究所, ナノシステム研究部門, 主幹研究員 … More
2009: 独立行政法人産業技術総合研究所, 計算科学研究部門, 総括研究員
2007: 産業技術総合研究所, 計算科学研究部門, 主幹研究員
2006: National Institute of Advanced Industrial Science and Technology, Research Institute for Computational Science, Principal Research Scientist, 計算科学研究部門, 総括研究員
2005: National Institute of Advanced Industrial Science and Technology, Research Institute of Computational Sciences, Senior Researcher, 計算科学研究部門, 総括研究員
2004 – 2005: 産業技術総合研究所, グリッド研究センター, 科学技術応用チーム長
2003 – 2004: 独立行政法人産業技術総合研究所, グリッド研究センター, 総括研究員
2002: 独立行政法人産業技術総合研究所, グリッド研究センター, 副センター長
1996 – 1997: お茶の水女子大学, 理学部, 教授
1996: お茶の水女子大学, 理学部・情報科学科, 教授
1994 – 1995: お茶の水女子大学, 理学部, 助教授
1993 – 1994: お茶の水女子大学, 理学部・情報科学科, 助教授
1993 – 1994: お茶の水女子大学, 理学部情報科学科, 助教授
1993: お茶の水大学, 理学部, 助教授
1992: Ochanomizu Fac. of Sci. Associate Prof. Univ., 理学部, 助教授
1992: お茶の水女子大学理学部, 助教授
1992: 御茶ノ水女子大学, 理学部, 助教授
1990 – 1991: Ints. MoL. Sci., Research Associate, 分子科学研究所, 助手 Less
Review Section/Research Field
Principal Investigator
Physical chemistry
Except Principal Investigator
Physical chemistry / Physical chemistry / Engineering fundamentals / 電子材料工学 / 物理化学一般 / 広領域
Keywords
Principal Investigator
超臨界流体 / 2体の相互作用ポテンシャル / 分子クラスター / 断熱ポテンシャル / ポテンシャル関数 / 分子軌道法 / 配置問相互作用 / フラグメントポテンシャル / 溶媒和 / 状態密度 … More / 並列計算 / スーパーコンピュータ / 分子動力学 / ニューラルネットワーク / 構造活性相関 / 時系列 / 発ガン性 / 再構築 / neural network / structure-acitivity correlation / self-organized network model / ^<13>C-NMR shift … More
Except Principal Investigator
量子化学 / QCLDB / QCLDB II / 量子化学計算 / 分子軌道法 / 励起状態 / 計算化学 / 文献データベース / 量子多成分系分子理論 / MOE / 星間分子 / 分子構造 / 化学反応 / ab initio分子軌道法 / 電子状態 / 回転定数 / FeCO / 解離性再結合反応:HCNH^++e^- / イオン分子反応 / 放射会合反応 / 位相空間統計理論 / リドベルグ状態 / 理論計算 / 分子動力学 / 分子性結晶 / 結晶の構造予測 / ab Initio分子軌道法 / 結晶の相変化 / 分子集合体 / 文献データーベース / 収集・査読 / システム開発 / 計算科学 / 文献収集活動 / 自動収集システム / QCDB / 理論化学 / データーベース / 文献検索 / 非経験的計算 / 文献収集 / シミュレーション工学 / 固有値解析 / 基盤ソフトウェア / 基盤ソフトウエア / 次世代シミュレーション / プロトニクス / ポジトロニクス / 量子モンテカルロ法 / 経路積分シミュレーション / プロト二クス / ポジトロ二クス / 水素結合型強誘電体 / H/D同位体効果 / 四角酸 / 経路積分法 / 多成分系分子理論 / 光化学気相蒸着 / 真空紫外光 / 内殻 / 光イオン化 / 解離 / 有機金属 / Photochemical Vapor Deposition / Vacuum Ultraviolet Light / Core / Photoionization / Dissociation / Organometallic Molecule / 分子計算化学 / 高分解能分光学 / 電子構造動力学 / 放射光利用化学 / 物質化学 / ファン・デル・ワールス錯体 / ヘテロ芳香環分子 / 光解離 / 有機半導体 / 分子クラスター / 分子性固体 / 光分解能分光 / 電子励起状態 / クラスタ- / 表面状態 / フェムト秒分光 / サブ・ドプラ-分光 / 光フラグメント / Molecular Computational Chemistry / High resolution spectroscopy / Electronic structures and dynamic behavior of excited molecules / Application of synchrotron radiation to molecular spectroscopy and photochemistry / Material chemistry / 光化学 / 発光 / 波動関数 / 今光 / プロトン移動 / サリチルアルデヒド / 水素結合 / 分光 / Photochemistry / Excited State / Emission / Wave Function / Spectroscopy / Proton Transfer / Salicylaldehyde / Hydrogen Bond / 腸管神経叢 / イオン輸送 / 神経ペプチド / クロライド分泌 / 大腸 / 消化管 / 受容体 / モルモット / 粘膜上皮 / 壁内神経 / enteric nervous system / ion transport / neuropeptide / chloride / secretion / colon / gastrointestinal tract / receptor / guinea-pig / 検索プログラム / 管理システム / データ査読収集システム / 非経験的波動関数 / Literature Data Base / Qyantum Chemistry / Retrieval Program / Management Systems / Data Input System / Ab initio Wavefunction / World Wide Web / 超高速分子軌道計算 / 専用並列計算システム / 分子軌道計算専用ボード / 分子積分 / 専用計算アルゴリズム / 専用計算機 / 並列計算 / フォック行列 / 専用プロセッサ / 2電子積分 / Ultra-high speed molecular orbital calculation / Tailored parallel computation system / a board specially tailored for molecular orbital calculations / molecular integral / ultra-high speed algorithm for molecular orbital calculations, and / ab initio molecular orbital calculation / 構造活性相関 / ニューラルネットワーク / 発ガン性予測 / Structure Activity Relationship / Neural Network / Carcinogenicity Prediction / 新量子化学文献データベース / 非経験的分子軌道法 / 密度汎関数法 / New Quantum Chemistry Literature Data Base / Quantum Chemistry Calculation / Ab Initio Molecular Orbital Method / Density Functional Theory Method / 分子科学 / 光電子分光 / 時間分解分光 / チトクロ-ム酸化酵素 / 光化学磁場効果 / トロイダル回折格子 / 物性化学 / 生体分子構造 / Molecular Science / Photoelectron Spectroscopy / Photoehemistry / Cytochrome Oxidase / Conducting Polymer / Synchrotron Radiation Less
  • Research Projects

    (20 results)
  • Research Products

    (37 results)
  • Co-Researchers

    (107 People)
  •  Origin

    • Principal Investigator
      Tachikawa Masanori
    • Project Period (FY)
      2014 – 2015
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      Yokohama City University
  •  Development on the integrated system of quantum multi component molecular theories and its application to protonics and positronics

    • Principal Investigator
      TACHIKAWA Masanori
    • Project Period (FY)
      2011 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Yokohama City University
  •  Development and Application of a Method for Generalized Eigenvalue

    • Principal Investigator
      SAKURAI Tetsuya
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Engineering fundamentals
    • Research Institution
      University of Tsukuba
  •  Spontaneous and Perpetual Development of a New Quantum-Chemistry Data Base System

    • Principal Investigator
      HADA Masahiko
    • Project Period (FY)
      2007 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Tokyo Metropolitan University
  •  Development of continually viable quantum chemistry literature date base

    • Principal Investigator
      KOGA Nobuaki
    • Project Period (FY)
      2004 – 2006
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Nagoya University
  •  Study on Nonlinear Methods for Structure Activity Relationship in Assessment of Health Effects of Chemical Substances

    • Principal Investigator
      TANABE Kazutoshi
    • Project Period (FY)
      2002 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      広領域
    • Research Institution
      Chiba Institute of Technology
  •  分子集合体の構造予測:ab Initio分子動力学を用いた高速プログラムの開発

    • Principal Investigator
      平野 恒夫
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Ochanomizu University
  •  Study of structure activity correlation of molecules using Neural networkPrincipal Investigator

    • Principal Investigator
      NAGASHIMA Umpei
    • Project Period (FY)
      1996 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Ochanomizu University
  •  Development of the computer-assisted management systems for Quantum Chemistry Literature Data Base

    • Principal Investigator
      YAMABE Sin-ichi
    • Project Period (FY)
      1995 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Nara University of Education, Department of Education
  •  Exploration of Hardware and Software for the Ultra-High Speed Nonempirical Molecular Orbital Calculations

    • Principal Investigator
      HIRANO Tsuneo
    • Project Period (FY)
      1995 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Ochanomizu University
  •  量子化学計算による星間分子の構造と化学反応の理論的予測

    • Principal Investigator
      HIRANO Tsuneo
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  超臨界流体の計算機シミュレーションのためのポテンシャル関数の研究Principal Investigator

    • Principal Investigator
      長嶋 雲兵
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  分子クラスター中での化学反応の計算化学的研究方法の開発とその応用Principal Investigator

    • Principal Investigator
      長嶋 雲兵
    • Project Period (FY)
      1993 – 1994
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Ochanomizu University
  •  超臨界流体の計算機シミュレーションのためのポテンシャル関数の研究Principal Investigator

    • Principal Investigator
      長嶋 雲兵
    • Project Period (FY)
      1993 – 1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  超臨界流体の計算機シュミレーションのためのポテンシャル関数の研究Principal Investigator

    • Principal Investigator
      長嶋 雲兵
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  Regulation of water and electrolyte transport in the gut

    • Principal Investigator
      KUWAHARA Atsukazu
    • Project Period (FY)
      1992 – 1993
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Institution
      National Institute for Physiological Sciences, Okazaki National Research Institutes
  •  Collaborative Research and Investigation of Research Trends on Reaction and Properties of Molecules and Molecular Complexes

    • Principal Investigator
      INOKUCHI Hiroo
    • Project Period (FY)
      1991 – 1993
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Institution
      Okazaki National Research Institutes : Institute for Molecular Science
  •  Investigation of Electronic-State Dependence of Photoreaction

    • Principal Investigator
      NAGAOKA Shin-ichi
    • Project Period (FY)
      1991 – 1992
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      物理化学一般
    • Research Institution
      Ehime University
  •  Investigation of Photochemical Vapor Deposition by Using Vacuum Ultraviolet Light

    • Principal Investigator
      NAGAOKA Shin-ichi
    • Project Period (FY)
      1989 – 1990
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      電子材料工学
    • Research Institution
      Ehime University
  •  Experimental and Theoretical Studies on Dynamical Processes in Molecular Science

    • Principal Investigator
      KIMURA Katsumi
    • Project Period (FY)
      1988 – 1990
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Institution
      Institute for Molecular Science

All 2015 2014 2013 2012 2011 2010 2009 2006 2005 Other

All Journal Article Presentation

  • [Journal Article] Molecular dynamics simulations of self-assembled nanocubes in methanol2015

    • Author(s)
      T. Mashiko, K. Yamada, S. Hiraoka, U. Nagashima, and M. Tachikawa
    • Journal Title

      Mol. Sim.

      Volume: -

    • DOI

      10.1080/08927022.2014.940523

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-ORGANIZER-25102001, KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
  • [Journal Article] Molecular dynamics and principal components analysis for a self-assembled nanocube in aqueous solution2014

    • Author(s)
      T. Mashiko, K. Yamada, T. Kojima, S. Hiraoka, U. Nagashima, and M. Tachikawa
    • Journal Title

      Chem. Lett

      Volume: (in press)

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Semiempirical investigations on the stabilization energies and ionic hydrogen-bonded structures of F-(H2O)n and Cl-(H2O)n (n=1-4) clusters2014

    • Author(s)
      Q. Wang, K. Suzuki, U. Nagashima, M. Tachikawa, and S. Yan
    • Journal Title

      J. Theoret. Appl. Phys.

      Volume: xx

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Molecular dynamics and principal components analysis for a self-assembled nanocube in aqueous solution2014

    • Author(s)
      T. Mashiko, K. Yamada, T. Kojima, S. Hiraoka, U. Nagashima, and M. Tachikawa
    • Journal Title

      Chem. Lett.

      Volume: xx

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Semiempirical investigations on the stabilization energies and ionic hydrogen-bonded structures of F-(H2O)n and Cl-(H2O)n (n=1-4) clusters2013

    • Author(s)
      Q. Wang, K. Suzuki, U. Nagashima, M. Tachikawa, and S. Yan
    • Journal Title

      J. Theoret. Appl. Phys

      Volume: (in press)

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Path integral molecular dynamic study of nuclear quantum effect on small chloride water clusters of Cl-(H2O)1-42013

    • Author(s)
      Q. Wang, K. Suzuki, U. Nagashima, M. Tachikawa, and S. Yan
    • Journal Title

      Chem. Phys.

      Volume: 419 Pages: 229-236

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations2013

    • Author(s)
      Q. Wang, K. Suzuki, U. Nagashima, M. Tachikawa, and S. Yan
    • Journal Title

      Chem. Phys

      Volume: 426 Pages: 38-47

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Gold-standard coupled-cluster study of the ground-state chromium dimer cation2013

    • Author(s)
      Y. Yamada, K. Hongo, K. Egashira, Y. Kita, U. Nagashima, and M. Tachikawa
    • Journal Title

      Chem. Phys. Lett

      Volume: 555 Pages: 84-86

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations2013

    • Author(s)
      Q. Wang, K. Suzuki, U. Nagashima, M. Tachikawa, and S. Yan
    • Journal Title

      Chem. Phys.

      Volume: 426 Pages: 38-47

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Path integral molecular dynamic study of nuclear quantum effect on small chloride water clusters of Cl-(H2O)1-42013

    • Author(s)
      Q. Wang, K. Suzuki, U. Nagashima, M. Tachikawa, and S. Yan
    • Journal Title

      Chem. Phys

      Volume: 419 Pages: 229-236

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Gold-standard coupled-cluster study of the ground-state chromium dimer cation2013

    • Author(s)
      Y. Yamada, K. Hongo, K. Egashira, Y. Kita, U. Nagashima, and M. Tachikawa
    • Journal Title

      Chem. Phys. Lett.

      Volume: 555 Pages: 84-86

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Temperature dependence of self-assembled molecular capsules consisting of gear-shaped amphiphile molecules with molecular dynamics simulations2012

    • Author(s)
      J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, and M. Tachikawa
    • Journal Title

      Int. J. Quant. Chem.

      Volume: 113 Pages: 397-400

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Temperature dependence of self-assembled molecular capsules consisting of gear-shaped amphiphile molecules with molecular dynamics simulations2012

    • Author(s)
      J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, and M. Tachikawa
    • Journal Title

      Int. J. Quant. Chem

      Volume: 113 Pages: 397-400

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Role of CH-pi interaction energy in self-assembled gear-shaped amphiphile molecules : Correlated ab initio molecular orbital and density functional theory study2011

    • Author(s)
      J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, and M. Tachikawa
    • Journal Title

      Theor. Chem. Acc

      Volume: 130 Pages: 1055-1059

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa2011

    • Author(s)
      J. Koseki, Y. Kita, U. Nagashima, M. Tachikawa
    • Journal Title

      Procedia Comput. Sci.

      Volume: 4 Pages: 251-260

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa2011

    • Author(s)
      J. Koseki, Y. Kita, U. Nagashima, and M. Tachikawa
    • Journal Title

      Procedia Comput. Sci

      Volume: 4 Pages: 251-260

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Nuclear quantum effect on hydrogen adsorption site of zeolite-templated carbon model using path integral molecular dynamics2011

    • Author(s)
      K. Suzuki, M. Kayanuma, M. Tachikawa, H. Ogawa, H. Nishihara, T. Kyotani, U. Nagashima
    • Journal Title

      J. Alloys and Compounds

      Volume: 509S

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Path integral molecular dynamics for hydrogen adsorption site of zeolite-templated carbon with semi-empirical PM3 potential2011

    • Author(s)
      K. Suzuki, M. Kayanuma, M. Tachikawa, H. Ogawa , H. Nishihara, T. Kyotani, U. Nagashima
    • Journal Title

      Comp. Theor. Chem.

      Volume: 975 Pages: 128-133

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Isotope effect of proton and deuteron adsorption site on Zeolite-Templated carbon using path integral molecular dynamics2011

    • Author(s)
      K. Suzuki, M. Tachikawa, H. Ogawa, S. Ittisanronnachai, H. Nishihara, T. Kyotani, and U. Nagashima
    • Journal Title

      Theor. Chem. Acc

      Volume: 130 Pages: 1039-1042

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Path integral molecular dynamics for hydrogen adsorption site of zeolite-templated carbon with semi-empirical PM3 potential2011

    • Author(s)
      K. Suzuki, M. Kayanuma, M. Tachikawa, H. Ogawa, H. Nishihara, T. Kyotani, and U. Nagashima
    • Journal Title

      Comp. Theor. Chem

      Volume: 975 Pages: 128-133

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Nuclear quantum effect on hydrogen adsorption site of zeolite-templated carbon model using path integral molecular dynamics2011

    • Author(s)
      K. Suzuki, M. Kayanuma, M. Tachikawa, H. Ogawa, H. Nishihara, T. Kyotani, and U. Nagashima
    • Journal Title

      J. Alloys and Compounds

      Volume: 509 Pages: 868-871

    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] Role of CH-pi interaction energy in self-assembled gear-shaped amphiphile molecules: Correlated ab initio molecular orbital and density functional theory study2011

    • Author(s)
      J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, M. Tachikawa
    • Journal Title

      Theor. Chem. Acc.

      Volume: 130 Pages: 1055-1059

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Journal Article] A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation2010

    • Author(s)
      T. Sakurai, H. Tadano, T. Ikegami, U. Nagashima
    • Journal Title

      Taiwanese J. Math

      Volume: Vol.14 Pages: 855-867

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21246018
  • [Journal Article] Afilter diagonalization for generalized eigenvalue problems based on the Sakurai-Sugiura projection method2010

    • Author(s)
      T.Ikegami, T.Sakurai, U.Nagashima
    • Journal Title

      J.Comput.Appl.Math.

      Volume: 233 Pages: 1927-1936

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21246018
  • [Journal Article] A filter diagonalization for generalized eigenvalue problems based on the Sakurai-Sugiura projection method2010

    • Author(s)
      T. Ikegami, T. Sakurai, U. Nagashima
    • Journal Title

      J. Comput, Appl. Math

      Volume: Vol.233 Pages: 1927-1936

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21246018
  • [Journal Article] Parallel Fock matrix construction with distributed shared memory model for the FMO-MO method2010

    • Author(s)
      H.Umeda, Y.Inadomi, T.Watanabe, T.Uagi, T.Ishimoto, T.Ikegami, H.Tadano, T.Sakurai, U.Nagashima
    • Journal Title

      J.Comput.Chem.

      Volume: 31 Pages: 2381-2388

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21246018
  • [Journal Article] Parallel Fock matrix construction with distributed shared memory model for the FMO-MO method2010

    • Author(s)
      H. Umeda, Y. Inadomi, T. Watanabe, T. Uagi, T. Ishimoto, T. Ikegami, H. Tadano, T. Sakurai, U. Nagashima
    • Journal Title

      J. Comput. Chem

      Volume: Vol.31 Pages: 2381-2388

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21246018
  • [Journal Article] Quantum Chemistry Literature Data Base II Bibliography of Ab Initio Calculations for 20052006

    • Author(s)
      N. Koga, T. Matsushita, K. Takano, K. Hashimoto, M. Hada, H. Hosoya, H. Matsuzawa, U. Nagashima, H. Wasada, S. Yamabe
    • Journal Title

      J. Comp. Chem. Japan 5(5)

      Pages: 231-655

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350014
  • [Journal Article] ニューラルネットワークによる多種類の有機化合物の発ガン性の予測2005

    • Author(s)
      田辺和俊, 大森紀人, 小野修一郎, 鈴木孝弘, 松本高利, 長嶋雲平
    • Journal Title

      Journal of Computer Chemistry, Japan 4(印刷中)

    • NAID

      10019351223

    • Data Source
      KAKENHI-PROJECT-14209022
  • [Journal Article] 化学物質の毒性情報と構造活性相関予測2005

    • Author(s)
      田辺和俊, 大森紀人, 小野修一郎, 松本高利, 長嶋雲兵, 上坂博亨, 鈴木孝弘
    • Journal Title

      情報知識学会誌 (印刷中)

    • NAID

      110004798420

    • Data Source
      KAKENHI-PROJECT-14209022
  • [Journal Article] ニューラルネットワークによる多種類の有機化合物の発ガン性の予測2005

    • Author(s)
      田辺和俊, 大森紀人, 小野修一郎, 鈴木孝弘, 松本高利, 長嶋雲兵, 上坂博亨
    • Journal Title

      Journal of Computer Chemistry, Japan 4

      Pages: 89-100

    • NAID

      10019351223

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14209022
  • [Journal Article] Neural Network Prediction of Carcinogenicity of Diverse Organic Compounds2005

    • Author(s)
      Kazutoshi Tanabe, Norihito Ohmori, Shuichiro Ono, Takahiro Suzuki, Takatoshi Matsumoto, Umpei Nagashima, Hiroyuki Uesaka
    • Journal Title

      Journal of Computer Chemistry, Japan vol.4

      Pages: 89-100

    • NAID

      10019351223

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14209022
  • [Journal Article] A Hybrid-Type Data Base: Quantum Chemistry Literature Data Base II-New Concept and New Methodology-

    • Author(s)
      K. Takano, N. Koga, T. Matsushita, K. Hashimoto, H. Hosoya, H. Matsuzawa, U. Nagashima, T. Nishikawa, H. Wasada, S. Yamabe, M. Tachikawa, M. Hada
    • Journal Title

      Bull. Chem. Soc. Japan (in press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350014
  • [Presentation] 量子化学的計算による人参薬効成分 Ginsenoside 類の神経細胞伸長活性の解明2013

    • Author(s)
      立川仁典・梅嵜 雅人・長嶋 雲兵
    • Organizer
      日本薬学会第133年会-和漢薬の科学基盤:共同研究による先駆的統合的解明-
    • Place of Presentation
      横浜
    • Invited
    • Data Source
      KAKENHI-PROJECT-23350010
  • [Presentation] A hybrid-type Data Base: Quantum Chemistry Literature Data Base II- New Concept and New Methodology-2010

    • Author(s)
      Keiko Takano, Nobuaki Koga, Toshio Matsushita, Kenro Hashimoto, Haruo Hosoya1, Hidenori Matsuzawa, Umpei Nagashima, Takeshi Nishikawa, Hiroaki Wasada, Shinichi Yamabe, Masanori Tachikawa, Masahiro Ehara, Masahiko Hada
    • Organizer
      第13回理論化学討論会
    • Place of Presentation
      北海道大学Sapporo
    • Data Source
      KAKENHI-PROJECT-19350014
  • [Presentation] 大規模分子軌道計算のための並列対角化手法2009

    • Author(s)
      飯塚直之, 渡邊寿雄, 梅田宏明, 稲富雄一, 多田野寛人, 池上努, 櫻井鉄也, 長嶋雲兵
    • Organizer
      日本応用数理学会2009年度年会
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2009-09-28
    • Data Source
      KAKENHI-PROJECT-21246018
  • [Presentation] A hierarchical parallel eigensolver for large-scale scientific computing2009

    • Author(s)
      T.Sakurai, H.Tadano, T.Ikegami, T.Watanabe, H.U., U.Nagashima
    • Organizer
      International Symposium of Electronic Structure Calculations
    • Place of Presentation
      University of Tokyo, Tokyo
    • Year and Date
      2009-12-07
    • Data Source
      KAKENHI-PROJECT-21246018
  • 1.  YAMABE Shinichi (00109117)
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  • 82.  PHILLIPS D.
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  • 87.  村上 明徳
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  • 88.  DAY P.
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  • 89.  DAY Peter
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  • 90.  R J.Donovan
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  • 91.  J P.Simons
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  • 92.  M H.Palmer
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  • 97.  R N.Dixon
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  • 99.  MEECH S.R.
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  • 102.  DONOVAN R.J.
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  • 105.  OGURA Haruo
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  • 106.  山辺 信一
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  • 107.  平岡 秀一
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