ISHIMURA Kazuya 石村和也

… Alternative Names

石村和也イシムラカズヤ

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Researcher Number	80390681
Other IDs
External Links
Affiliation (based on the past Project Information) *help	2012 – 2018: 分子科学研究所, 理論・計算分子科学研究領域, 特任研究員 2011: 神戸大学, システム情報学研究科, 助教 2009: 分子科学研究所, 理論・計算分子科学研究領域, 技術職員 2007: 分子科学研究所, 理論・計算分子科学研究領域, 技術職員 2006: 分子科学研究所, 理論分子科学研究系, 技術職員
Review Section/Research Field	Principal Investigator High performance computing / Software Except Principal Investigator Science and Engineering
Keywords	Principal Investigator 計算化学 / 並列計算 / スーパーコンピュータ / 量子化学 / オープンソースソフトウェア / SMASH / 大規模並列計算 / オープンソース / 並列計算アルゴリズム / 計算科学 … More / 電子状態 / オープンソースライセンス / 巨大分子系 / 電子状態計算 / 分散処理 / 並列処理 … More Except Principal Investigator ナノ空間 / 高周期元素 / 高速並列化 / 高精度化 / 高速化 / 機能化 / 複合的電子系 / ナノサイズ分子 / 機能 / 反応 / 構造 / ナノ複合電子系 / 高速化と高精度化 / 量子化学計算 Less

Performance enhancement and generalization of massively parallel quantum chemistry calculation open source software SMASHPrincipal Investigator
- Principal Investigator
  
  Ishimura Kazuya
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  High performance computing
- Research Institution
  Institute for Molecular Science
Development and implementation of algorithms for massively parallel quantum chemistry calculationsPrincipal Investigator
- Principal Investigator
  
  ISHIMURA Kazuya
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  High performance computing
- Research Institution
  Institute for Molecular Science
Development of Parallel Algorithm for Highly Accurate QuantumChemistry CalculationsPrincipal Investigator
- Principal Investigator
  
  ISHIMURA Kazuya
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Software
- Research Institution
  Institute for Molecular Science
  Kobe University
Structures and Functionalization of Composite Electronic Systems based on Nanomolecules
- Principal Investigator
  
  NAGASE Shigeru
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Institute for Molecular Science

All 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2007 Other

All Journal Article Presentation Book

[Book] 計算科学のためのHPC技術１2017
- Author(s)
  下司雅章編／片桐孝洋，中田真秀，渡辺宙志，山本有作，吉井範行，Jaewoon Jung，杉田有治，石村和也，大石進一，関根晃太，森倉悠介，黒田久泰著
- Total Pages
  300
- Publisher
  大阪大学出版会
- Data Source
  KAKENHI-PROJECT-16K00175
[Journal Article] Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term2019
- Author(s)
  Yukio Kawashima, Kazuya Ishimura, Motoyuki Shiga
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 150 Issue: 12 Pages: 124103-124103
- DOI
  10.1063/1.5048451
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05675, KAKENHI-PROJECT-16K00175, KAKENHI-PLANNED-18H05519, KAKENHI-PROJECT-18H01693
[Journal Article] Double aromaticity arising from σ- and π-rings2018
- Author(s)
  Furukawa Shunsuke、Fujita Masahiro、Kanatomi Yoshihiko、Minoura Mao、Hatanaka Miho、Morokuma Keiji、Ishimura Kazuya、Saito Masaichi
- Journal Title
  
  Communications Chemistry
  
  Volume: 1 Issue: 1 Pages: 60-60
- DOI
  10.1038/s42004-018-0057-4
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06445, KAKENHI-PLANNED-26102006, KAKENHI-PROJECT-16K00175, KAKENHI-PROJECT-18H03908
[Journal Article] A First-Order Interacting Space Approach to Excited-State Molecular Interaction: Solvatochromic Shift of p-Coumaric Acid and Retinal Schiff Base2018
- Author(s)
  K. Yanai, K. Ishimura, A. Nakayama, J. Hasegawa
- Journal Title
  
  J. Chem. Theory Comput.
  
  Volume: 14 Issue: 7 Pages: 3643-3655
- DOI
  10.1021/acs.jctc.7b01089
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-15K06563, KAKENHI-PROJECT-16K00175
[Journal Article] Core-Shell versus Other Structures in Binary Cu38-nMn Nanoclusters (M = Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au; n = 1, 2, and 6): Theoretical Insight into Determining Factors2017
- Author(s)
  Takagi Nozomi、Ishimura Kazuya、Matsui Masafuyu、Fukuda Ryoichi、Ehara Masahiro、Sakaki Shigeyoshi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 121 Issue: 19 Pages: 10514-10528
- DOI
  10.1021/acs.jpcc.6b13086
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K00175, KAKENHI-PROJECT-17K05750, KAKENHI-PROJECT-15H03770, KAKENHI-PROJECT-16H04104
[Journal Article] Performance Evaluations of Parallelized DFT Calculations with SMASH on Intel Xeon Phi Processor2016
- Author(s)
  齊藤天菜，望月祐志，山崎大，石村和也
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 15 Issue: 4 Pages: 92-96
- DOI
  10.2477/jccj.2016-0047
- NAID
  130005434728
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16K00175
[Journal Article] On the hierarchical parallelization of ab initio simulations2016
- Author(s)
  Sergi Ruiz-Barragan, Kazuya Ishimura, Motoyuki Shiga
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 646 Pages: 130-135
- DOI
  10.1016/j.cplett.2016.01.017
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25730079
[Journal Article] Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study2016
- Author(s)
  K. Yanai, K. Ishimura, A. Nakayama, M. W. Schmidt, M. S. Gordon, and J. Hasegawa
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 120 Issue: 51 Pages: 10273-10280
- DOI
  10.1021/acs.jpca.6b10552
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00952, KAKENHI-PROJECT-15K06563, KAKENHI-PROJECT-16K00175
[Journal Article] Development of massively parallel quantum chemistry program SMASH2015
- Author(s)
  Kazuya Ishimura
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1702 Pages: 090053-090053
- DOI
  10.1063/1.4938861
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25730079
[Journal Article] Quantum Mechanical Molecular Interactions for Calculating Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach2015
- Author(s)
  J.Hasegawa, K.Yanai, K.Ishimura
- Journal Title
  
  ChemPhysChem
  
  Volume: 16 Issue: 2 Pages: 305-311
- DOI
  10.1002/cphc.201402635
- NAID
  120005567735
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24350008, KAKENHI-PROJECT-25730079
[Journal Article] Program Package of Photoinduced Electron Dynamics: GCEED (Grid-based Coupled Electron and Electromagnetic field Dynamics)2015
- Author(s)
  Masashi Noda, Kazuya Ishimura, Katsuyuki Nobusada
- Journal Title
  
  JPS Conference Proceedings
  
  Volume: 5 Pages: 011010-011010
- DOI
  10.7566/jpscp.5.011010
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25730079
[Journal Article] Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size2014
- Author(s)
  M. Noda, K. Ishimura, K.Nobusada, K. Yabana, T. Boku
- Journal Title
  
  J. Comput. Phys.
  
  Volume: 265 Pages: 145-155
- DOI
  10.1016/j.jcp.2014.02.006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23340113, KAKENHI-PUBLICLY-25104702, KAKENHI-PROJECT-25288012, KAKENHI-PROJECT-25730079
[Journal Article] Seiichiro Ten-no, MPI/OpenMP hybrid parallel implementation of second-order Moller- Plesset perturbation theory using numerical quadratures2011
- Author(s)
  Kazuya Ishimura
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: 130 Issue: 2-3 Pages: 317-321
- DOI
  10.1007/s00214-011-0980-2
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23700037
[Journal Article] Dilithioplumbole: A Lead-Bearing Aromatic Cyclopentadinyl Analog2010
- Author(s)
  Saito, M.; Sakaguchi, M.; Tajima, T.; Ishimura, K.; Nagase. S.; Hada, M.
- Journal Title
  
  Science 328
  
  Pages: 339-342
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066017
[Journal Article] New Parallel Algorithm of MP2 Energy Gradient Calculations2007
- Author(s)
  K. Ishimura
- Journal Title
  
  J. Comput. Chem. 28
  
  Pages: 2034-2042
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066017
[Journal Article] New Parallel Algorithm of MP2 Energy Gradient Calculations
- Author(s)
  K.Ishimura
- Journal Title
  
  J. Comput. Chem. (in press)
- Data Source
  KAKENHI-PROJECT-18066017
[Presentation] Development of Massively Parallel Quantum Chemistry Calculation Program SMASH2019
- Author(s)
  Kazuya Ishimura
- Organizer
  International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] 大規模並列量子化学計算プログラムSMASHの開発と応用計算2019
- Author(s)
  石村和也
- Organizer
  第7回材料系ワークショップ
- Invited
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] SMASH: Massively Parallel Software for Quantum Chemistry Calculations2018
- Author(s)
  Kazuya Ishimura
- Organizer
  International Congress on Pure & Applied Chemistry (ICPAC) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] 大規模並列量子化学計算プログラムSMASHの開発とオープンソースライセンスでの公開2018
- Author(s)
  石村和也
- Organizer
  研究会「凝縮系の理論化学」
- Invited
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] Pythonを用いた大規模並列量子化学計算プログラムSMASHの制御2018
- Author(s)
  石村和也
- Organizer
  第21回理論化学討論会
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] Development of Massively Parallel Software for Quantum Chemistry Calculations2018
- Author(s)
  Kazuya Ishimura
- Organizer
  7th JCS(Japan-Czech-Slovak) SYMPOSIUM
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] SMASH: Massively Parallel Software for Quantum Chemistry Calculations2018
- Author(s)
  Kazuya Ishimura
- Organizer
  16th International Congress of Quantum Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] SMASH: Massively Parallel Quantum Chemistry Program2017
- Author(s)
  Kazuya Ishimura
- Organizer
  11th Triennial Congress of the World Association of Theoretical and Computational Chemists
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] Xeon Phi KNL環境でのMO計算プログラムの性能評価-その２2017
- Author(s)
  齊藤天菜, 土居英男, 望月祐志, 石村和也, 渡邊啓正, 坂倉耕太, 佐藤伸哉
- Organizer
  日本コンピュータ化学会2017秋季年会
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] SMASH : Massively parallel quantum chemistry program2017
- Author(s)
  Kazuya Ishimura
- Organizer
  International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics
- Place of Presentation
  理化学研究所(兵庫県神戸市)
- Year and Date
  2017-01-09
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] Xeon Phi KNL環境でのMO計算プログラムの性能評価2017
- Author(s)
  齊藤天菜, 望月祐志, 石村和也, 渡邊啓正, 坂倉耕太, 佐藤伸哉
- Organizer
  日本コンピュータ化学会2017年春季年会
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] Development of Massively Parallel Quantum Chemistry Calculation Program2017
- Author(s)
  Kazuya Ishimura
- Organizer
  2017 NCTS International Workshop on Critical Phenomena and Complex Systems
- Place of Presentation
  精華大学(台湾新竹市)
- Year and Date
  2017-03-30
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] 量子化学計算オープンソースソフトウェアSMASHの開発と公開2016
- Author(s)
  石村和也
- Organizer
  計算分子科学研究拠点第6回研究会
- Place of Presentation
  分子科学研究所(愛知県岡崎市)
- Year and Date
  2016-03-14
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 大規模並列MP2エネルギー微分計算アルゴリズムの開発と実装2016
- Author(s)
  石村和也
- Organizer
  第19回理論化学討論会
- Place of Presentation
  早稲田大学(東京都新宿区)
- Year and Date
  2016-05-23
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] 大規模並列量子化学計算プログラムSMASHの開発・公開とその応用計算2016
- Author(s)
  石村和也
- Organizer
  ポスト「京」重点課題５「エネルギーの高効率な創出，変換・貯蔵，利用の新規基盤技術の開発」第３回公開シンポジウム
- Place of Presentation
  東京大学(東京都文京区)
- Year and Date
  2016-12-15
- Data Source
  KAKENHI-PROJECT-16K00175
[Presentation] Development of Massively Parallel Program for Quantum Chemistry Calculations SMASH2015
- Author(s)
  Kazuya Ishimura
- Organizer
  15th International Congress of Quantum Chemistry
- Place of Presentation
  Tsinghua University(Beijing, China)
- Year and Date
  2015-06-08
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 大規模並列量子化学計算プログラムSMASHの開発と公開2015
- Author(s)
  石村和也
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学(大阪府豊中市)
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 超並列量子化学計算プログラムSMASHの開発・公開及び応用計算2015
- Author(s)
  石村和也
- Organizer
  第4回計算分子科学研究拠点(TCCI)産学連携シンポジウム
- Place of Presentation
  東京大学(東京都文京区)
- Year and Date
  2015-01-23
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] ナノサイズ分子の新規構造及び機能の探索2015
- Author(s)
  石村和也
- Organizer
  第6回CMSI研究会
- Place of Presentation
  東京大学(東京都文京区)
- Year and Date
  2015-12-07
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 超並列量子化学計算プログラムSMASH2015
- Author(s)
  石村和也
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学(東京都目黒区)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 超並列量子化学計算プログラムの開発2014
- Author(s)
  石村和也
- Organizer
  元素戦略プロジェクト・大型研究施設連携シンポジウム2014～大型研究施設を利用した物質・材料研究の課題共有と共創～
- Place of Presentation
  東京大学物性研究所(千葉県)
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] A new quantum chemistry program on K computer2014
- Author(s)
  Kazuya Ishimura
- Organizer
  第7回ビヨンド・シミュレーション・フォーラム～スーパーコンピューティング～
- Place of Presentation
  豊橋科学技術大学(愛知県)
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] ナノサイズ分子の新規構造及び機能の探索 -大規模並列計算プログラムの効率的な開発-2013
- Author(s)
  石村和也
- Organizer
  第4回CMSI研究会
- Place of Presentation
  東京大学物性研究所(千葉県)
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] Massively Parallel Program for Quantum Chemistry Calculations2013
- Author(s)
  Kazuya Ishimura
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  東大寺総合文化センター(奈良県)
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 超並列量子化学計算プログラムの開発2013
- Author(s)
  石村和也
- Organizer
  第16回理論化学討論会
- Place of Presentation
  福岡市健康づくりサポートセンター(福岡県)
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] 求積法を用いた超並列MP2 計算手法の開発2012
- Author(s)
  石村和也、天能精一郎
- Organizer
  第14回理論化学討論会
- Place of Presentation
  岡山大学創立五十周年記念館(岡山県)
- Year and Date
  2012-05-12
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 量子化学計算の並列化に向けた取り組み2012
- Author(s)
  石村和也
- Organizer
  日本応用数理学会2012年度年会
- Place of Presentation
  稚内全日空ホテル(北海道)
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] Parallelization and Acceleration for Large-Scale Quantum Chemistry Calculations2012
- Author(s)
  Kazuya Ishimura
- Organizer
  International Workshop on Quantum Chemistry Massively Parallel Programming Now in Supercomputers
- Place of Presentation
  東京大学駒場ファカルティハウス(東京都)
- Year and Date
  2012-02-28
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 大規模量子化学計算手法の開発2012
- Author(s)
  石村和也
- Organizer
  第4回データ工学と情報マネジメントに関するフォーラム
- Place of Presentation
  シーサイドホテル舞子ビラ神戸
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 量子化学計算の並列化に向けた取り組み2012
- Author(s)
  石村和也
- Organizer
  日本応用数理学会2012 年度年会
- Place of Presentation
  稚内全日空ホテル(北海道)
- Year and Date
  2012-08-31
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] Parallelization and Acceleration for Large-Scale Quantum Chemistry Calculations2012
- Author(s)
  Kazuya Ishimura
- Organizer
  International Workshop on Quantum Chemistry Massively Parallel Programming Now in Supercomputers(招待講演)
- Place of Presentation
  東京大学駒場ファカルティハウス
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] Development of Massively Parallel algorithm for MP2-F12 calculations2012
- Author(s)
  Kazuya Ishimura
- Organizer
  Theory and Applications of Computational Chemistry-2012
- Place of Presentation
  University of Pavia(イタリア)
- Year and Date
  2012-09-04
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 量子化学超並列計算基盤プログラムの開発2012
- Author(s)
  石村和也
- Organizer
  第3回計算物質科学イニシアティブ研究会
- Place of Presentation
  自然科学研究機構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-PROJECT-23700037
[Presentation] 量子化学計算の高速化と並列化手法2012
- Author(s)
  石村和也
- Organizer
  近畿化学協会コンピュータ化学部会第84回例会
- Place of Presentation
  大阪産業創造館(大阪府)
- Year and Date
  2012-06-20
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 大規模量子化学計算手法の開発2012
- Author(s)
  石村和也
- Organizer
  第4回データ工学と情報マネジメントに関するフォーラム
- Place of Presentation
  シーサイドホテル舞子ビラ神戸(兵庫県)
- Year and Date
  2012-03-04
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] Development of Massively Parallel Algorithm for MP2-F12 Calculations2012
- Author(s)
  Kazuya Ishimura
- Organizer
  Theory and Applications of Computational Chemistry-2012
- Place of Presentation
  University of Pavia(イタリア)
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 大規模量子化学計算に向けた取り組み2011
- Author(s)
  石村和也
- Organizer
  CMSI若手技術交流会第一回
- Place of Presentation
  計算科学研究機構(兵庫県)
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 大規模量子化学計算に向けた取り組み、2011
- Author(s)
  石村和也
- Organizer
  CMSI 若手技術交流会第一回
- Place of Presentation
  計算科学研究機構(兵庫県)
- Year and Date
  2011-07-07
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 求積法を用いた超並列MP2計算手法の開発2011
- Author(s)
  石村和也、天能精一郎
- Organizer
  第14回理論化学討論会
- Place of Presentation
  岡山大学創立五十周年記念館
- Data Source
  KAKENHI-PROJECT-23700037
[Presentation] 巨大分子の構造最適化並列計算プログラム開発
- Author(s)
  石村和也
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学(愛知県名古屋市)
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] ナノサイズ分子の新規構造及び機能の探索 -大規模並列計算プログラムの効率的な開発と公開-
- Author(s)
  石村和也
- Organizer
  第5回計算物質科学イニシアティブ(CMSI)研究会
- Place of Presentation
  東北大学(宮城県仙台市)
- Year and Date
  2014-12-08 – 2014-12-10
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] Development of Massively Parallel Quantum Chemistry Program SMASH
- Author(s)
  Kazuya Ishimura
- Organizer
  International Conference of Computational Methods in Sciences and Engineering (ICCMSE) 2015
- Place of Presentation
  Metropolitan Hotel Athens, Greece
- Year and Date
  2015-03-20 – 2015-03-23
- Data Source
  KAKENHI-PROJECT-25730079
[Presentation] ナノサイズ分子の構造最適化超並列計算プログラム開発
- Author(s)
  石村和也
- Organizer
  第8回分子科学討論会2014
- Place of Presentation
  広島大学(広島県東広島市)
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-25730079

1. NAGASE Shigeru (30134901)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
2. OHTSUKA Yuhki (70397587)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 矢花一浩

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
4. 志賀基之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
5. 諸熊奎治

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
6. 畑中美穂

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
7. 長谷川淳也

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results

ISHIMURA Kazuya 石村 和也

石村 和也 イシムラ カズヤ

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Performance enhancement and generalization of massively parallel quantum chemistry calculation open source software SMASHPrincipal Investigator

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Development and implementation of algorithms for massively parallel quantum chemistry calculationsPrincipal Investigator

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Development of Parallel Algorithm for Highly Accurate QuantumChemistry CalculationsPrincipal Investigator

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Structures and Functionalization of Composite Electronic Systems based on Nanomolecules

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[Book] 計算科学のためのHPC技術１2017

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[Journal Article] Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term2019

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[Journal Article] Double aromaticity arising from σ- and π-rings2018

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[Journal Article] A First-Order Interacting Space Approach to Excited-State Molecular Interaction: Solvatochromic Shift of p-Coumaric Acid and Retinal Schiff Base2018

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[Journal Article] Core-Shell versus Other Structures in Binary Cu38-nMn Nanoclusters (M = Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au; n = 1, 2, and 6): Theoretical Insight into Determining Factors2017

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[Journal Article] Performance Evaluations of Parallelized DFT Calculations with SMASH on Intel Xeon Phi Processor2016

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[Journal Article] On the hierarchical parallelization of ab initio simulations2016

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[Journal Article] Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study2016

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[Journal Article] Development of massively parallel quantum chemistry program SMASH2015

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[Journal Article] Quantum Mechanical Molecular Interactions for Calculating Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach2015

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ISHIMURA Kazuya 石村和也

石村和也イシムラカズヤ