Graduate Faculty of Interdisciplinary Research Faculty of Engineering
Material Science (Fuel Cell Nanomaterials Center)


Tsuneda Takao


  1. Postdoctoral Fellowship of Intelligent Modeling Laboratory, Univ. Tokyo 1997/07
  2. Postdoctoral Fellowship of Japan Society for the Promotion of Science 1998/04
  3. Assistant Professor, Graduate School of Engineering, Univ. Tokyo 1999/06
  4. Associate Professor, Graduate School of Engineering, Univ. Tokyo 2004/06
  5. Associate Professor, Department of Applied Chemistry, Graduate School of Engineering, Univ. Tokyo 2007/06
  6. Deputy Unit Leader, Next-generation molecular theory unit, RIKEN, Japan 2009/04
  7. Deputy Professor, Fuel Cell Nanomaterials Center, Univ. Yamanashi 2011/04
  8. Senior visiting scientist, RIKEN, Japan 2011/09

Academic background

  1. Hokkaido University 1992/03
  2. Nagoya University 1994/03
  3. The University of Tokyo 1997/03

Academic degrees

  1. Doctor of Engineering 東京大学 2011/04/18

Research Areas

  1. Physical Chemistry Theoretical Chemistry, Quantum Chemistry, Photochemistry, Materials Chemistry

Research keywords

  1. Density Functional Theory (DFT), Photochemical Reaction Theory, Materials Design Theory

Subject of research

  1. Density Functional Theories (DFT), Theories for Chemistries of Large Systems and Applications, Theories for Photochemical Reaction Analyses and Their Applications, Theories for Materials Designs and Applications Society for Theory of Rare Events

Research Projects (Competitive Research Funds)

  1. サムスン横浜への量子化学計算アドバイス Donation 2013/04/01
  2. 軌道エネルギーにもとづく化学反応解析理論 Science research expense 2012/04/01-2016/03/31
  3. 密度汎関数理論の新展開 Science research expense 2011/05/31-2016/03/31


  1. Density Functional Theory in Quantum Chemistry Takao Tsuneda - Springer 2014/04/01
  2. π-Stacking on Density Functional Theory: A review T. Tsuneda,T. Taketsugu - Springer 2013/11/01
  3. Fundamentals of Density Functional Theory 常田貴夫 - Kodansha 2012/04/01


  1. Relativistic Density Functional Theory 常田貴夫 Journal of Computer Chemistry, Japan, Vol. 13 2014/04/01
  2. Long-range Correction for Density Functional Theory T. Tsuneda,K. Hirao WIREs Computational Molecular Science 2013/11/01
  3. Density functional theory for comprehensive orbital energy calculations A. Nakata,T. Tsuneda J. Chem. Phys. 139, 1-10 2013/10/01
  4. Stochastic Search of Molecular Cluster Interaction Energy Surfaces with Coupled Cluster Quality Prediction. The Phenylacetylene Dimer M. A. Addicoat,Y. Nishimura,T. Sato,T. Tsuneda,S. Irle J. Chem. Theor. Chem. 139, 1-10 2013/09/01
  5. Reaction Energetics on Long-range Corrected Density Functional Theory: Diels-Alder Reactions R. K. Singh,T. Tsuneda J. Comput. Chem. 34, 379-386 2013/01/01

Research presentations

  1. Oral presentation(invited, special) Density functional theory for comprehensive orbital energy calculations 2013/10/15
  2. Oral presentation(invited, special) DFT交換相関汎関数とその補正 2013/09/13
  3. Oral presentation(invited, special) 軌道エネルギーにもとづく化学反応の新しい解析法 2013/09/10
  4. Oral presentation(invited, special) 長距離補正密度汎関数法が導く新しい量子化学 2013/08/07
  5. Oral presentation(invited, special) DFTによる分散力結合計算での長距離補正の必要性 2013/03/28


  1. First Encouraging prize of the Japan Society for Molecular Science 2007/09/18 長距離補正密度汎関数法とその応用

Memberships of academic societies

  1. Japan Society for Molecular Science 2007
  2. The Chemical Society of Japan 1995

Committee outside the campus

  1. レア・イベント理論科学研究会 代表者 2013/09