Tokyo Woman's Christian University
School of Arts and Sciences
Division of Mathematical Sciences
Department of Information and Sciences

Koji Ando

Other affiliation / position

  1. Graduate School of Science (Master's Degree Course) Division of Mathematics
  2. Graduate School of Science (Doctoral Degree Course) Division of Mathematics


  1. Japan Society for the Promotion of Science, JSPS Fellow 1991/04/01-1993/03/31
  2. University of Colorado at Boulder USA, Department of Chemistry and Biochemistry, Postdoctoral Research Associate 1992/09/01-1995/04/30
  3. RIKEN, Special Postdoctoral Researcher 1995/05/01-1996/02/29
  4. University of Tsukuba, Institute of Materials Science, Assistant Professor 1996/03/01-2000/03/31
  5. University of Birmingham UK, School of Chemistry, Lecturer 2000/04/01-2005/08/30
  6. Kyoto University, Department of Chemistry, Associate Professor 2005/09/15-2017/03/31
  7. Tokyo Woman's Christian University, Department of Information and Sciences, Professor 2017/04/01

Academic background

  1. The University of Tokyo, School of Science, Department of Chemistry, 1987/03/31 Graduated
  2. The University of Tokyo, Graduate School of Science, Department of Chemistry, Master course 1989/03/31 Completed
  3. The University of Tokyo Graduate School of Science, 相関理科学専攻 Doctor course 1992/03/31 Completed

Academic degrees

  1. B.Sc. The University of Tokyo 1987/03/31
  2. M.Sc. The University of Tokyo 1989/03/29
  3. Ph.D. The University of Tokyo 1992/03/30

Research Areas

  1. Physical chemistry

Research keywords

  1. Theoretical Chemistry, Computational Chemistry

Subject of research

  1. Quantum Theory and Simulation of Chemical Processes: Study of theoretical and computational methods for understanding microscopic mechanism of chemical processes based on quantum statistical mechanics.

Research Projects (Competitive Research Funds)

  1. Theoretical Study on the Function and Dynamics of Ubiquitous Hydrogen Science research expense Scientific Research (A) (General) 2014/04/01-2019/03/31
  2. Dynamical Theory of Chemical Bonding by Localized Electron Wave Packets Science research expense Challenging Exploratory Research 2014/04/01-2017/03/31
  3. Theory and Simulation of Quantum Transfer Processes in Molecular Many-Body Systems Science research expense Scientific Research (C) (General) 2010/04/01-2014/03/31
  4. Theory and Simulation of Biological Energy Transfer Processes that involve π Electron Systems Science research expense Scientific Research on Innovative Areas 2008/04/01-2013/03/31


  1. Research paper (scientific journal) Only Potential energy surfaces for electron dynamics modeled by floating and breathing Gaussian wave packets with valence-bond spin-coupling: An analysis of high-harmonic generation spectrum K. Ando Journal of Chemical Physics AIP Publishing 148, 094305-1-094305-4 2018/03/05 10.1063/1.5012575
  2. Research paper (scientific journal) Only Electron excitation dynamics in a molecule modeled by valence-bond coupled localized electron wave packets Koji Ando Journal of Computer Chemistry, Japan 日本コンピューター化学会 16/ 5, 133-134 2018/02/10 10.2477/jccj.2017-0056
  3. Research paper (scientific journal) Only Localized electron wave packet description of chemical bond and excitation: Floating and breathing Gaussian with valence-bond coupling Koji Ando Computational and Theoretical Chemistry Elsevier 2017/03/01 10.1016/j.comptc.2017.02.028
  4. Research paper (scientific journal) Joint FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two triptophanes through cis- and trans-polyproline-linker systems Hirotaka Kitoh-Nishioka and Koji Ando Journal of Chemical Physics AIP Publishing 145/ 11, 114103-1-114103-6 2016/09/16 10.1063/1.4962626
  5. Research paper (scientific journal) Only A Corpuscular Picture of Electrons in Chemical Bond Koji Ando Journal of Chemical Physics AIP Publishing 144/ 12, 124109-1-124109-4 2016/03/25 10.1063/1.4944827

Social Contribution

  1. Others 高校生化学オリンピック代表候補学習支援者 2007/04/01-2008/03/31 Advisor 日本化学会近畿支部
  2. Lecture 第51回分子科学若手の会夏の学校「分子多体系における量子移動過程の理論とシミュレーション」 2011/08-2011/08 Lecturer 分子科学若手の会
  3. Lecture 高校生・一般向け講義「分子の世界:生命エネルギーを支える電子とプロトン」 Experience-based Learning Course for Advanced Studies 2014/02/01-2014/02/01 Lecturer Kyoto University

Committee Career

  1. 国際会議 7th Congress of the International Society for Theoretical Chemical Physics 国内オーガナイザー 2011
  2. International Journal of Quantum Chemistry ゲストエディター 2012
  3. 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