Rchr
J-GLOBAL ID:201601011360980346   Update date: Sep. 24, 2022

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 (45):
  • 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
  • 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
  • Aditya Wibawa Sakti, Chien-Pin Chou, Yoshifumi Nishimura, Hiromi Nakai. Is Oxygen Diffusion Faster in Bulk CeO2 or on a (111)-CeO2 Surface? A Theoretical Study. Chemistry Letters. 2021. 50. 4. 568-571
  • Aulia Sukma Hutama, Chien-pin Chou, Yoshifumi Nishimura, Henryk A. Witek, Stephan Irle. Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials. The Journal of Physical Chemistry A. 2021. 125. 10. 2184-2196
  • Junichi Ono, Minori Imai, Yoshifumi Nishimura, Hiromi Nakai. Hydroxide Ion Carrier for Proton Pumps in Bacteriorhodopsin: Primary Proton Transfer. JOURNAL OF PHYSICAL CHEMISTRY B. 2020. 124. 39. 8524-8539
more...
MISC (7):
Lectures and oral presentations  (3):
  • Recent developments in divide-and-conquer density functional tight-binding method
    (The 2021 International Chemical Congress of Pacific Basin Societies 2021)
  • Development of Large-scale Quantum Mechanical Molecular Dynamics Simulation: Divide-and-Conquer Density Functional Tight-binding Approach
    (First International Workshop on Advanced Methods for Nano Materials Design - Satellite session of Nano Korea 2017 Symposium 2017)
  • Development of linear-scaling divide-and-conquer density-functional tight-binding program: massively parallel DC-DFTB calculations on the K computer
    (5th International Workshop on Massively Parallel Programming Now in Quantum Chemistry and Physics - Toward Exascale Computing 2015)
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):
  • 博士(理学) (名古屋大学)
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):
  • 2016 - 第19回理論化学討論会 実行委員
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
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