Hirano Toshiyuki 平野敏行

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HIRANO Toshiyuki 平野敏行

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Researcher Number	60451887
Other IDs
Affiliation (Current)	2025: 東京都立産業技術高等専門学校, ものづくり工学科, 准教授 2025: 東京大学, 生産技術研究所, 助教
Affiliation (based on the past Project Information) *help	2013 – 2019: 東京大学, 生産技術研究所, 助教
Review Section/Research Field	Principal Investigator Life / Health / Medical informatics / System genome science Except Principal Investigator Computational science
Keywords	Principal Investigator 電子状態 / 電子状態計算 / タンパク質 / 量子化学 / 波動関数 / ハイパフォーマンス・コンピューティング / 蛋白質 / 密度汎関数法 / 物性理論 / シミュレーション工学 … More / 生体生命情報学 / データベース / 自動計算 / 分子軌道計算 / 電子構造 … More Except Principal Investigator 量子分子動力学法 / 大規模計算 / 量子化学計算 / 蛋白質 / 原子電荷 / 分子動力学法 / 密度汎関数法 / 量子化学 / 物性理論 / タンパク質 / ハイパフォーマンス・コンピューティング Less

Expansion of Protein Electronic Structure DB SystemPrincipal Investigator
- Principal Investigator
  
  Hirano Toshiyuki
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Life / Health / Medical informatics
- Research Institution
  The University of Tokyo
Construction of Electronic Structure Database of ProteinsPrincipal Investigator
- Principal Investigator
  
  Hirano Toshiyuki
- Project Period (FY)
  2015 – 2016
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  System genome science
- Research Institution
  The University of Tokyo
Development of the third generation density functional calculation method and study of Born-Oppenheimer molecular dynamics method on protein
- Principal Investigator
  
  Sato Fumitoshi
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Computational science
- Research Institution
  The University of Tokyo
Study of Auto Quantum Chemical Calculation Method and Electron Structure Database for ProteinsPrincipal Investigator
- Principal Investigator
  
  HIRANO Toshiyuki
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Life / Health / Medical informatics
- Research Institution
  The University of Tokyo

All 2020 2019 2018 2017 2016 2015 2014 2013 Other

All Journal Article Presentation

[Journal Article] Recent progress of protein canonical molecular orbital calculation by the third generation density functional method2019
- Author(s)
  Hirano Toshiyuki、Sato Fumitoshi
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 2186 Pages: 030009-030009
- DOI
  10.1063/1.5137920
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K00395
[Journal Article] 大規模分子設計における電子状態計算法と期待2018
- Author(s)
  平野敏行, 佐藤文俊
- Journal Title
  
  放電研究
  
  Volume: 61 Pages: 13-18
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K00395
[Journal Article] Study on the Cloud-like Visualization Model of Protein Molecule Orbitals by the Rejection Method2018
- Author(s)
  EGUCHI Haruki、HIRANO Toshiyuki、SATO Fumitoshi
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 5 Pages: 189-192
- DOI
  10.2477/jccj.2018-0062
- NAID
  130007596235
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Open Access
- Data Source
  KAKENHI-PROJECT-17K00395
[Journal Article] Study of high-performance canonical molecular orbitals calculation for proteins2017
- Author(s)
  Hirano Toshiyuki、Sato Fumitoshi
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1906 Pages: 030019-030019
- DOI
  10.1063/1.5012298
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K00395, KAKENHI-PROJECT-15H02046
[Journal Article] カノニカル分子軌道計算に基づく線形回帰法を用いたタンパク質原子電荷の開発2016
- Author(s)
  金泰煥, 平野敏行, 佐藤文俊
- Journal Title
  
  生産研究
  
  Volume: 68 Pages: 213-217
- NAID
  130005153090
- Open Access
- Data Source
  KAKENHI-PROJECT-15K20929
[Journal Article] 量子化学計算によるオキシトシンの安定構造に関する研究2016
- Author(s)
  紀平昌吾, 平野敏行, 佐藤文俊
- Journal Title
  
  生産研究
  
  Volume: 68 Pages: 219-223
- NAID
  130005153091
- Open Access
- Data Source
  KAKENHI-PROJECT-15K20929
[Journal Article] Study on Stable Structures of Oxytocin by Full-Quantum Chemical Calculation2016
- Author(s)
  紀平昌吾, 平野敏行, 佐藤文俊
- Journal Title
  
  SEISAN KENKYU
  
  Volume: 68 Issue: 3 Pages: 219-223
- DOI
  10.11188/seisankenkyu.68.219
- NAID
  130005153091
- ISSN
  0037-105X, 1881-2058
- Language
  English
- Open Access
- Data Source
  KAKENHI-PROJECT-15H02046
[Journal Article] Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico2016
- Author(s)
  Takashi Tamura, Naoki Tsunekawa, Michiko Nemoto, Kenji Inagaki, Toshiyuki Hirano, Fumitoshi Sato
- Journal Title
  
  Scientific Reports
  
  Volume: 6 Issue: 1
- DOI
  10.1038/srep19742
- NAID
  120005723278
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046, KAKENHI-PROJECT-15K14695
[Journal Article] Development of atomic charges for proteins by using the linear regression method based on canonical molecular orbital calculation2016
- Author(s)
  金泰煥, 平野敏行, 佐藤文俊
- Journal Title
  
  SEISAN KENKYU
  
  Volume: 68 Issue: 3 Pages: 213-217
- DOI
  10.11188/seisankenkyu.68.213
- NAID
  130005153090
- ISSN
  0037-105X, 1881-2058
- Language
  English
- Open Access
- Data Source
  KAKENHI-PROJECT-15H02046
[Journal Article] QCLO法によるグルコースオキシダーゼ活性中心の電子状態計算2015
- Author(s)
  吉田洵也, 平野敏行, 佐藤文俊
- Journal Title
  
  生産研究
  
  Volume: 67 Pages: 265-272
- NAID
  130005074271
- Open Access
- Data Source
  KAKENHI-PROJECT-15H02046
[Journal Article] QCLO法によるグルコースオキシダーゼ活性中心の電子状態計算2015
- Author(s)
  吉田洵也, 平野敏行, 佐藤文俊
- Journal Title
  
  生産研究
  
  Volume: 67 Pages: 61-61
- NAID
  130005074271
- Open Access
- Data Source
  KAKENHI-PROJECT-25730174
[Journal Article] A third-generation density-functional-theory- based method for calculating canonical molecular orbitals of large molecules2014
- Author(s)
  Toshiyuki Hirano and Fumotoshi Sato
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 未定 Issue: 28 Pages: 14496-14496
- DOI
  10.1039/c3cp55514c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] Study of interaction energy analysis of proteins by canonical Kohn-Sham molecular orbital calculation2020
- Author(s)
  T. Hirano, F. Sato
- Organizer
  The 60th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] Recent Progress of Protein Canonical Molecular Orbital Calculation by the Third Generation Density Functional Method2019
- Author(s)
  T. Hirano, F. Sato
- Organizer
  ICCMSE2019
- Invited
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] Interaction energy analysis based on canonical Kohn-Sham molecular orbital calculation of protein2019
- Author(s)
  T. Hirano, F. Sato
- Organizer
  DFT2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] GPU acceleration of a canonical molecular orbital calculation program by the third-generation density-functional-theory-based method2019
- Author(s)
  T. Hirano, F. Sato
- Organizer
  The 59th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] Analyzing intramolecular interaction using canonical Kohn-Sham molecular orbital calculation in protein2019
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  CBI学会2019年大会
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] タンパク質カノニカル分子軌道計算における相互作用解析の研究2019
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] インスリン様成長因子1の電子状態の研究2019
- Author(s)
  佐々木光, 平野敏行, 佐藤文俊
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] Development of Molecular Orbitals Calculation Applications for Proteins2018
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] 雲状モデルによるタンパク質分子軌道の新規可視化手法の研究2018
- Author(s)
  江口晴輝, 平野敏行, 佐藤文俊
- Organizer
  日本コンピュータ化学会 2018秋季年会
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] Development of Molecular Orbitals Calculation Applications for Proteins2018
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] Automated Canonical Molecular Orbital Calculation Engine for Protein: ProteinDF/QCLObot2018
- Author(s)
  T. Hirano, F. Sato
- Organizer
  16th international congress of quantum chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] GPUを用いた大規模電子状態計算プログラムProteinDFの高速化2018
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] Electronic structure of the active site on glucose oxidase by using canonical molecular orbital calculation2018
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  The 58th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] A theoretical study of glucose oxidase using canonical molecular orbital calculation2017
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  St. Simons Island (米国)
- Year and Date
  2017-02-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] Study of High-Performance Canonical Molecular Orbitals Calculation for Proteins2017
- Author(s)
  Toshiyuki HIRANO, Fumitoshi SATO
- Organizer
  International symposium: Computational Chemistry (CC) in ICCMSE2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] A theoretical study of glucose oxidase using canonical molecular orbital calculation2017
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  The 57th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] Study of High-Performance Canonical Molecular Orbitals Calculation for Proteins2017
- Author(s)
  Toshiyuki HIRANO, Fumitoshi SATO
- Organizer
  International symposium: Computational Chemistry (CC) in ICCMSE2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] カノニカル分子軌道計算によるインフルエンザM2タンパク質の電子構造2017
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  分子科学討論会2017
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] QCLObot: an automation engine of canonical MO calculation in proteins2017
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  CBI学会2017年大会
- Data Source
  KAKENHI-PROJECT-17K00395
[Presentation] カノニカル分子軌道計算によるインフルエンザM2タンパク質の電子構造2017
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  分子科学討論会2017
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] タンパク質の美しき電子の世界2017
- Author(s)
  佐藤文俊, 平野敏行
- Organizer
  日本農芸化学会2017
- Place of Presentation
  京都女子大学 (京都)
- Year and Date
  2017-03-17
- Invited
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] タンパク質の美しき電子の世界2017
- Author(s)
  佐藤文俊, 平野敏行
- Organizer
  日本農芸化学会2017
- Invited
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] An effective grid-free approach based on the third-generation density-functional-theory calculation method2016
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  The 56th Sanibel Symposium
- Place of Presentation
  St. Simons Island, Georgia, U.S.A.
- Year and Date
  2016-02-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 液体ベンゼンにおける過剰電子移動度の見積り2016
- Author(s)
  佐藤正寛、熊田亜紀子、日高邦彦、平野敏行、佐藤文俊
- Organizer
  平成28年　電気学会全国大会
- Place of Presentation
  東北大キャンパス, 仙台市, 宮城
- Year and Date
  2016-03-16
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] グリッドフリー密度汎関数計算におけるエネルギー勾配計算2016
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート (神戸)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] An effective grid-free approach based on the third-generation density-functional-theory calculation method2016
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  The 56th Sanibel Symposium
- Place of Presentation
  St. Simons Island (米国)
- Year and Date
  2016-02-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] 罰則付き回帰法に基づくタンパク質原子電荷の計算と性質2016
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第39回ケモインフォマティクス討論会
- Place of Presentation
  静岡大学 (浜松)
- Year and Date
  2016-09-29
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] グルコースオキシダーゼ反応機構の理論研究2016
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第3回「京」を中核とするHPCIシステム利用研究課題成果報告会
- Place of Presentation
  コクヨホール (東京)
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] 罰則付き回帰法に基づくタンパク質原子電荷の計算と性質2016
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第39回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] グリッドフリー密度汎関数計算におけるエネルギー勾配計算2016
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第10回分子科学討論会
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 分散メモリ型超並列計算機に向けた大規模カノニカル分子軌道計算法の開発2015
- Author(s)
  平野敏行
- Organizer
  High Performance Computing Chemistry 2015
- Place of Presentation
  理化学研究所(神戸)
- Year and Date
  2015-12-01
- Invited
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] 量子化学シミュレーションで観察するタンパク質2015
- Author(s)
  平野敏行
- Organizer
  東海コンファレンス
- Place of Presentation
  信州大学, 長野市, 長野
- Year and Date
  2015-10-07
- Invited
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 機械学習を用いたカノニカル分子軌道計算に基づく新規タンパク質形式電荷に関する研究2015
- Author(s)
  金泰煥,平野敏行,佐藤文俊
- Organizer
  第18回　理論化学討論会
- Place of Presentation
  大阪大学（豊中キャンパス）, 豊中市, 大阪
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 線形回帰法を用いたタンパク質原子電荷に関する研究2015
- Author(s)
  金泰煥,平野敏行,佐藤文俊
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東工大キャンパス, 目黒区, 東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 分散メモリ型超並列計算機に向けた大規模カノニカル分子軌道計算法の開発2015
- Author(s)
  平野敏行
- Organizer
  High Performance Computing Chemistry (HPCC) - 2015 -
- Place of Presentation
  理化学研究所　計算科学研究機構（RIKEN AICS）, 和光市, 埼玉
- Year and Date
  2015-12-01
- Invited
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 自由なフラクメント分割可能なQCLO法プロクラムの開発2015
- Author(s)
  平野敏行、佐藤文俊
- Organizer
  第18回　理論化学討論会
- Place of Presentation
  大阪大学（豊中キャンパス）, 豊中市, 大阪
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 効率的なタンパク質カノニカル分子軌道計算を目指して2015
- Author(s)
  平野敏行、佐藤文俊
- Organizer
  第7回 ProteinDF, ABINIT-MP ユーサ会
- Place of Presentation
  東京大学生産技術研究所, 目黒区, 東京
- Year and Date
  2015-12-11
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 量子分子生物学　春秋に富む2015
- Author(s)
  佐藤文俊, 平野敏行
- Organizer
  第15回東京大学生命科学シンポジウム
- Place of Presentation
  東京大学, 文京区, 東京
- Year and Date
  2015-06-27
- Invited
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] A Third-generation Density Functional Calculation Program: ProteinDF2015
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  Pacifichem2015
- Place of Presentation
  Hawaii, U.S.A.
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 線形回帰法を用いた新規タンパク質原子電荷に関する研究2015
- Author(s)
  金泰煥,平野敏行,佐藤文俊
- Organizer
  ProteinDF利用講習会
- Place of Presentation
  東京大学生産技術研究所, 目黒区, 東京
- Year and Date
  2015-12-06
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 計算を用いたポリエチレン中のホール輸送特性の一検討2015
- Author(s)
  佐藤正寛、熊田亜紀子、日高邦彦、平野敏行、佐藤文俊
- Organizer
  第46回電気電子絶縁材料システムシンポジウム
- Place of Presentation
  九州工業大学キャンパス, 北九州市, 福岡
- Year and Date
  2015-09-05
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] Multi-scale Computational Evaluation of Hole Mobility in Amorphous Polyethylene2015
- Author(s)
  M. Sato, A. Kumada, K. Hidaka, T. Hirano, F. Sato
- Organizer
  IEEE Conf. on Electr. Insul. Dielectr. Phenomena
- Place of Presentation
  Sheraton Ann Arbor, Michigan, U.S.A.
- Year and Date
  2015-10-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 第三世代密度汎関数計算法の進展2015
- Author(s)
  平野敏行、王笛申、佐藤文俊
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東工大キャンパス, 目黒区, 東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] Determination of Hole Mobility in Polyethylene : First Principle Calculation Based on Marcus Theory2015
- Author(s)
  M. Sato, A. Kumada, K. Hidaka, T. Hirano, F. Sato
- Organizer
  IEEE Conf. on Electr. Insul. Dielectr. Phenomena
- Place of Presentation
  Sheraton Ann Arbor, Michigan, U.S.A.
- Year and Date
  2015-10-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 大規模分子の構造最適化の収束法に関する研究2015
- Author(s)
  紀平昌吾,平野敏行，佐藤文俊
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東工大キャンパス, 目黒区, 東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 自由なフラグメント分割可能な QCLO 法プログラムの開発2015
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  理論化学討論会
- Place of Presentation
  大阪大学(大阪)
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] 量子化学シミュレーションで観察するタンパク質2015
- Author(s)
  平野敏行
- Organizer
  東海コンファレンス
- Place of Presentation
  信州大学(長野)
- Year and Date
  2015-10-07
- Invited
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] 密度汎関数法を用いたポリエチレン中の正孔移動度の一検討2015
- Author(s)
  佐藤正寛、熊田亜紀子、日高邦彦、平野敏行、佐藤文俊
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東工大キャンパス, 目黒区, 東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] 第三世代密度汎関数計算法の進展2015
- Author(s)
  平野敏行, 王笛申, 佐藤文俊
- Organizer
  分子科学討論会
- Place of Presentation
  東京工業大学(東京)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] Development of a new algorithm of canonical molecular orbitals calculation based on density functional theory for massively distributed memory parallel computers2015
- Author(s)
  佐藤文俊, 平野敏行
- Organizer
  ISM HPCCON 2015
- Place of Presentation
  統数研, 立川市, 東京
- Year and Date
  2015-10-19
- Invited
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] グルコースオキシダーゼ反応機構の理論研究2015
- Author(s)
  平野敏行、佐藤文俊
- Organizer
  HPCI成果報告会
- Place of Presentation
  日本科学未来館, 江東区, 東京
- Year and Date
  2015-10-31
- Data Source
  KAKENHI-PROJECT-15H02046
[Presentation] A Third-generation Density Functional Calculation Program: ProteinDF2015
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  Pacifichem 2015
- Place of Presentation
  Honolulu (米国)
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K20929
[Presentation] 次世代スーパーコンピュータに向けたタンパク質の電子状態シミュレーション2014
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  東京大学生命科学シンポジウム2014
- Place of Presentation
  東京
- Year and Date
  2014-04-26
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] Development of a 3rd Gen DFT program: ProteinDF2014
- Author(s)
  T. Hirano
- Organizer
  4th International Workshop on Massively Parallel Programming Now - Toward post-K computers
- Place of Presentation
  東京
- Year and Date
  2014-11-24
- Invited
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] ProteinDF: Application Program Designed to Perform All-electron Canonical Molecular Orbital Calculation of Macromolecule2013
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  International Symposium on Atomistic Modeling for Mechanics and Multiphysics of Materials (ISAM4)
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] コレスキー分解を用いたグリッドフリー密度汎関数計算の研究2013
- Author(s)
  平野敏行, 樋口恒, 佐藤文俊
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] 量子化学シミュレーションによるタンパク質電子構造の解明2013
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  第36回日本分子生物学会年会
- Place of Presentation
  神戸
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] Development of the unbiased density functional method for massively parallel computing2013
- Author(s)
  Toshiyuki Hirano, Fumitoshi Sato
- Organizer
  15th International Conference on Density Functional Theory and its Applications
- Place of Presentation
  Durham, UK
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] グリッドフリー密度汎関数計算法の進展
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-25730174
[Presentation] 自由なフラグメント分割可能なQCLO法プログラムの開発
- Author(s)
  平野敏行, 佐藤文俊
- Organizer
  理論化学討論会
- Place of Presentation
  大阪
- Year and Date
  2015-05-20 – 2015-05-22
- Data Source
  KAKENHI-PROJECT-25730174

1. Sato Fumitoshi (00235392)

# of Collaborated Projects: 1 results

# of Collaborated Products: 26 results

Hirano Toshiyuki 平野 敏行

HIRANO Toshiyuki 平野 敏行

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Expansion of Protein Electronic Structure DB SystemPrincipal Investigator

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Construction of Electronic Structure Database of ProteinsPrincipal Investigator

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Development of the third generation density functional calculation method and study of Born-Oppenheimer molecular dynamics method on protein

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Study of Auto Quantum Chemical Calculation Method and Electron Structure Database for ProteinsPrincipal Investigator

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[Journal Article] Recent progress of protein canonical molecular orbital calculation by the third generation density functional method2019

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[Journal Article] 大規模分子設計における電子状態計算法と期待2018

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[Journal Article] Study on the Cloud-like Visualization Model of Protein Molecule Orbitals by the Rejection Method2018

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[Journal Article] Study of high-performance canonical molecular orbitals calculation for proteins2017

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[Journal Article] カノニカル分子軌道計算に基づく線形回帰法を用いたタンパク質原子電荷の開発2016

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[Journal Article] 量子化学計算によるオキシトシンの安定構造に関する研究2016

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[Journal Article] Study on Stable Structures of Oxytocin by Full-Quantum Chemical Calculation2016

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[Journal Article] Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico2016

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[Journal Article] Development of atomic charges for proteins by using the linear regression method based on canonical molecular orbital calculation2016

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Hirano Toshiyuki 平野敏行

HIRANO Toshiyuki 平野敏行