Research keywords (1):
Theoretical Chemistry, Computational Chemistry
Research theme for competitive and other funds (13):
2019 - 2022 非断熱性を取り入れた原子価結合局在電子波束法による動的化学結合理論
2014 - 2019 Theoretical Study on the Function and Dynamics of Ubiquitous Hydrogen
2014 - 2017 Dynamical Theory of Chemical Bonding by Localized Electron Wave Packets
2010 - 2014 Theory and Simulation of Quantum Transfer Processes in Molecular Many-Body Systems
2008 - 2014 Emergence of highly elaborated π-space and its function
2008 - 2013 Theory and Simulation of Biological Energy Transfer Processes that involve π Electron Systems
2007 - 2007 準量子的時間依存ハートリー法の開発と応用
2006 - 2007 生体分子中の電子移動とプロトン移動の微視的理論とシミュレーション
1999 - 2000 凝縮系における光化学過程の微視的理論
1999 - 1999 チトクロム酸化酵素における電子・プロトン移動の微視的理論
1998 - 1998 凝縮相の化学反応における量子トンネル現象の微視的理論
1997 - 1998 凝縮相における化学反応動力学の理論的研究
1997 - 1997 凝縮相の化学反応における量子トンネル現象の微視的理論
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Papers (80):
Chisato Okamoto, Koji Ando. Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol olfactory receptor. Biophysics and Physicobiology. 2024. 21. e210007_1-e210007_10
Koji Ando. Potential energy surfaces for electron dynamics from a model of localized Gaussian wave packets with valence-bond spin-coupling: High-harmonic generation spectra from H and He atoms. Chemical Physics. 2023. 111883-111883
Kie ARAKI, Koji ANDO. Molecular Dynamics Simulation of the Interaction between Taste Receptor Proteins and their Ligands. Journal of Computer Chemistry, Japan. 2022. 21. 4. 94-95
Tatsuya Joutsuka, Koji Ando. Efficient Free-energy Calculation of Proton Transfer by Constrained Density Functional Theory and Geometrically Restrained Molecular Dynamics Simulation. Chemistry Letters. 2021. 50. 7. 1325-1328
Koji Ando. Molecular Dynamics Simulation and Binding Analysis of Olfactory Receptor Protein mOR-EG and Odorant Molecule Eugenol. Journal of Computational Chemistry, Japan. 2021. 19. 4. 161-163
Sakumichi Naoyuki, Ando Koji. 21aRJ-7 Semiquantal Grote-Hynes Theory and Application to Kinetic Isotope Effect on Hydrogen Transfer. Meeting Abstracts of the Physical Society of Japan. 2007. 62. 2. 346-346
Books (3):
Recent Advances of the Fragment Molecular Orbital Method
Springer 2021
物理化学(化学の基本シリーズ3)
化学同人 2019 ISBN:9784759818475
Chemical Science of π-Electron Systems
Springer 2015
Lectures and oral presentations (17):
Theoretical study on hydrogen diffusion in Pd and AgRh nanoclusters
(The 104th CSJ Annual Meeting (2024) 2024)
Structure and dynamics of water molecular clusters in the ligand binding pocket of taste receptor proteins
(The 104th CSJ Annual Meeting (2024) 2024)
1989 - 1992 The University of Tokyo Graduate School of Science, 相関理化学専攻
1987 - 1989 The University of Tokyo, Graduate School of Science, Department of Chemistry,
1983 - 1987 The University of Tokyo, School of Science, Department of Chemistry,
Professional career (6):
B.Sc. (The University of Tokyo)
理学士 (東京大学)
M.Sc. (The University of Tokyo)
理学修士 (東京大学)
Ph.D. (The University of Tokyo)
博士(理学) (東京大学)
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Work history (7):
2017/04/01 - Tokyo Woman's Christian University, Department of Information and Sciences, Professor
2005/09/15 - 2017/03/31 Kyoto University, Department of Chemistry, Associate Professor
2000/04/01 - 2005/08/30 University of Birmingham UK, School of Chemistry, Lecturer
1996/03/01 - 2000/03/31 University of Tsukuba, Institute of Materials Science, Assistant Professor
1995/05/01 - 1996/02/29 RIKEN, Special Postdoctoral Researcher
1992/09/01 - 1995/04/30 University of Colorado at Boulder USA, Department of Chemistry and Biochemistry, Postdoctoral Research Associate
1991/04/01 - 1993/03/31 Japan Society for the Promotion of Science, JSPS Fellow
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Committee career (8):
2019 - 理論化学会 幹事
2019 - Japan Society of Theoretical Chemistry Board Member
2016 - シンポジウム 化学反応経路探索のニューフロンティア 世話人代表
2016 - Symposium for Reaction Path Search Chief Organizer
2012 - International Journal of Quantum Chemistry ゲストエディター
2012 - International Journal of Quantum Chemistry Guest Editor
2011 - 7th Congress of the International Society for Theoretical Chemical Physics 国内オーガナイザー
2011 - 7th Congress of the International Society for Theoretical Chemical Physics Local Organizer
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Association Membership(s) (4):
The Japanese Society for the History of Chemistry
, Society of Computer Chemistry, Japan
, Japan Society of Theoretical Chemistry
, The Chemical Society of Japan