研究者
J-GLOBAL ID：201801003353061191   更新日: 2024年07月16日

Chan Bun

Chan Bun
所属機関・部署：
長崎大学 大学院工学研究科

長崎大学 大学院工学研究科 について


その他の所属（所属・部署名・職名） (1件)：
  • RIKEN Center for Computational Science  Visiting Scholar
ホームページURL (1件)： http://bit.ly/bunchan
研究分野 (3件)： 生物物理、化学物理、ソフトマターの物理 ,  基礎物理化学 ,  計算科学
研究キーワード (6件)： Metal-organic frameworks ,  Electron correlation ,  Fullerene ,  Physical organic chemistry ,  Density functional theory ,  Computational chemistry
競争的資金等の研究課題 (4件)：
  • 2022 - 2023 1-Click Drug Discovery from Genome to Therapeutics on the Fugaku Computer
  • 2021 - 2022 A Focused Fragment Approach for Rapid and Accurate Computation of Molecular Interactions in Large Biological Systems
  • 2017 - 2019 Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers
  • 2016 - 2018 Advancing Quantum Chemistry for Accurate and Rapid Computation of Broad Range of Chemical Systems
論文 (190件)：
  • Bun Chan. Limiting factors in the accuracy of DFT calculation for redox potentials. Journal of Computational Chemistry. 2024
  • Weam A. O. Altalhi, Bun Chan, Richard A. J. O’Hair. Methide Affinity Scale: Key Thermodynamic Data Underpinning Catalysis, Organic Synthesis, and Organometallic and Polymer Chemistry. The Journal of Physical Chemistry A. 2024
  • Kimihiko Hirao, Takahito Nakajima, Bun Chan, Ho-Jin Lee. The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy. Journal of Computational Chemistry. 2024
  • Yuki Wada, Pavel M. Usov, Bun Chan, Makoto Mukaida, Ken Ohmori, Yoshio Ando, Haruhiko Fuwa, Hiroyoshi Ohtsu, Masaki Kawano. Atomic-resolution structure analysis inside an adaptable porous framework. Nature Communications. 2024
  • Bun Chan, William Dawson, Takahito Nakajima. Sorting drug conformers in enzyme active sites: the XTB way. Physical Chemistry Chemical Physics. 2024
もっと見る
MISC (1件)：
  • Leo Radom, Michael Morris, Bun Chan, Ambili Menon, Thomas Bally. How are bond dissociation enthalpies influenced by protonation state?. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2014. 248
講演・口頭発表等 (19件)：
  • The Unusual Suspect (in DFT Benchmark)
    (Molecular Modelling 2023 2023)
  • DFT prediction of reduction potentials
    (69th Polarographic and Electroanalytical Chemistry Symposium 2023)
  • The Unusual Suspect (in DFT Benchmark)
    (60th Kyushu Area Joint Meeting of the Chemistry-Related Societies 2023)
  • The Unusual Suspect (in DFT Benchmark)
    (10th Asian Pacific Conference of Theoretical and Computational Chemistry 2023)
  • How do the latest and greatest DFTs fare for transition metals?
    (Twelfth Triennial Congress of the World Association of Theoretical and Computational Chemists 2022)
もっと見る
学位 (1件)：
  • PhD (University of Otago)
経歴 (1件)：
  • 2016 - 現在 Nagasaki University Graduate School of Engineering
委員歴 (4件)：
  • 2021 - 現在 Frontiers in Chemistry associate editor
  • 2017 - 現在 Chemical Data Collections editorial board member
  • 2019 - 2021 Pacifichem "From Homogeneous to Heterogeneous Catalysis: A Computational Perspective" Symposium organizing commitee
  • 2018 - 2019 APATCC 2019 Congress organizing committee
受賞 (2件)：
  • 2019 - AATACC International Fellow
  • 2014 - JSPS Long-Term Invitation Fellow
所属学会 (3件)：
分子科学会 ,  Royal Australian Chemical Institute ,  American Chemical Society
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