Rchr
J-GLOBAL ID：201601011360980346
Update date: Feb. 01, 2024
Nishimura Yoshifumi
ニシムラ ヨシフミ | Nishimura Yoshifumi
Affiliation and department：
Research field (1)：
Basic physical chemistry
Research keywords (3)：
Theoretical Chemistry
, Quantum Chemistry
, Computational Chemistry
Research theme for competitive and other funds (4)：
- 2022 - 2025 CO2 reduction drive at low pressure using CO2 pseudo high-pressure field
- 2022 - 2025 Development and application of hierarchical simulation system based on large-scale quantum chemical calculations
- 2021 - 2024 大規模量子分子動力学計算技術の社会実装に関する研究
- 2020 - 2023 大規模励起状態ダイナミクスの開発及び光活性イエロータンパク質への実践的応用
Papers (48)：
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Yoshifumi Nishimura, Hiromi Nakai. Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and i-PI codes. The Journal of Chemical Physics. 2023. 158. 16. 164101-164101
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Yoshifumi Nishimura, Hiromi Nakai. Species-selective nanoreactor molecular dynamics simulations based on linear-scaling tight-binding quantum chemical calculations. The Journal of Chemical Physics. 2023. 158. 5. 054106-054106
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Hiromi Nakai, Masato Kobayashi, Takeshi Yoshikawa, Junji Seino, Yasuhiro Ikabata, Yoshifumi Nishimura. Divide-and-Conquer Linear-Scaling Quantum Chemical Computations. The Journal of Physical Chemistry A. 2023. 127. 3. 589-618
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Hiromi Nakai, Toshiaki Takemura, Junichi Ono, Yoshifumi Nishimura. Quantum-Mechanical Molecular Dynamics Simulations on Secondary Proton Transfer in Bacteriorhodopsin Using Realistic Models. The Journal of Physical Chemistry B. 2021. 125. 39. 10947-10963
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Yoshifumi Nishimura, Hiromi Nakai. Quantum Chemical Calculations for up to One Hundred Million Atoms Using Dcdftbmd Code on Supercomputer Fugaku. Chemistry Letters. 2021. 50. 8. 1546-1550
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MISC (10)：
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Kensuke ISHIDA, Yoshifumi NISHIMURA, Hiromi NAKAI. Quantum Molecular Dynamics Simulation for trans-cis Photoisomerization Process in Photocycle of Photoactive Yellow Protein. Journal of Computer Chemistry, Japan. 2023. 22. 2. 9-11
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小野 純一, 今井 みの莉, 西村 好史, 中井 浩巳. バクテリオロドプシンの分子動画に基づく大規模量子分子動力学法によるプロトン移動反応の解析. 分子シミュレーション学会誌アンサンブル. 2021. 23. 3. 171-175
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西村 好史, 吉川 武司, 中井 浩巳. DCDFTBMDプログラムの公開. Journal of Computer Chemistry, Japan. 2019. 17. 5. A21-A27
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西村 好史, 中井 浩巳. 分割統治型密度汎関数強束縛 (DC-DFTB)法に対する最近の開発と応用. 分子シミュレーション研究会会誌アンサンブル. 2018. 20. 1. 18-23
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西村 好史, 中井 浩巳. 分割統治型密度汎関数強束縛分子動力学(DC-DFTB-MD)法によるナノスケール系化学反応シミュレーション. 分子シミュレーション研究会会誌アンサンブル. 2016. 18. 2. 95-101
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Lectures and oral presentations (8)：
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Recent updates of DCDFTBMD program: Theory, implementation, and applications
(Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10) 2023)
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量子的分子動力学計算プログラムDCDFTBMDの開発状況と最近の応用事例
(スーパーコンピュータワークショップ2022「 複雑電子状態の理論・計算科学」 2023)
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Recently added features in DCDFTBMD program
(New Horizons in Scientific Software: THE NEW COLLABORATIVE PLATFORM GOES LIFE (NHISS2022) 2022)
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Recent developments in divide-and-conquer density functional tight-binding method
(The 2021 International Chemical Congress of Pacific Basin Societies 2021)
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DCDFTBMD: Divide-and-conquer density functional tight-binding program for huge-system quantum mechanical molecular dynamics simulations
(New Horizons in Scientific Software: from Legacy Codes to Modular Environments (NHISS2020) 2020)
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Education (2)：
- 2008 - 2013 Nagoya University Graduate School of Science Department of Chemistry
- 2004 - 2008 Nagoya University School of Science Department of Chemistry
Professional career (1)：
Work history (5)：
- 2018/04 - 現在 Tokyo University of Science Faculty of Science, Division 1, Applied Chemistry
- 2018/04 - 現在 Waseda University Waseda Research Institute for Science and Engineering Junior Researcher (Assistant Professor)
- 2016/04 - 2018/03 Waseda University Research Institute for Science and Engineering Junior Researcher
- 2014/06 - 2016/03 Institute for Molecular Science Department of Theoretical and Computational Molecular Science Project Researcher
- 2013/05 - 2014/05 National Chiao Tung University Department of Applied Chemistry Postdoctoral Fellow
Committee career (1)：
Awards (2)：
- 2017/03 - Chemical Society of Japan CSJ Presentation Award
- 2008/03 - Nagoya University President's Award
Association Membership(s) (4)：
Japan Society of Theoretical Chemistry
, THE CHEMICAL SOCIETY OF JAPAN
, 分子シミュレーション学会
, 分子科学会
