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EHARA, Masahiro

TEL: 0564-55-7461
Mail: ehara_at_ims.ac.jp (Please replace the "_at_" with @ )
Affiliation laboratory:
Location: Myoudaiji, Computer Center Bldg. Room223


Research Center for Computational Science

Theoretical and Computational Molecular Science, Computational Molecular Science (adjunct)


1988 B.S. at Kyoto Univ. Faculty of Engineering
1990 M.S. at Kyoto Univ. Graduate School of Engineering
1993 Ph.D. at Kyoto Univ. Graduate School of Engineering
1993-1994 Postdoctral Fellow at Institute for Fundamental Chemistry (Dr. K. Yamashita)
1994-1995 Japan Society for the Promotion of Science (JSPS) Postdoctoral Fellow
1994-1995 Visiting Researcher at Heidelberg Univ.
1995-2002 Assitant Professor at Kyoto Univ. Graduate School of Engineering
2002-2008 Associate Professor at Kyoto Univ. Graduate School of Engineering
2006-2008 Theoretical Research Division Supervisor at Fukui Institute Kyoto University
2008.June- Professor at Insititute for Molecular Science
2012.Oct- Professor at Element Strategy for Catalysis and Battery (ESICB), Kyoto Univ. (additional post)


2009  APATCC Pople Medal
2009  QSCP Prize CMOA

Main research themes

Fundamental Chemistry of Complex Systems using Advanced Electronic Structure Theories
kewords Quantum Chemistry, Photophysical Chemistry, Heterogeneous Catalysis
PDF Annual Review : PDF

Selected Publications

  1. M. Ehara, T. Sommerfeld, “CAP/SAC-CI Method for Calculating Resonance States of Metastable Anions,” Chem. Phys. Lett. 537, 107-112 (2012).
  2. R. Cammi, R. Fukuda, M. Ehara, H. Nakatsuji, “SAC-CI Method in the Polarizable Continuum Model-Theory for Solvent Effect on Electronic Excitation of Molecules in Solution,” J. Chem. Phys. 133, 024104-1-24 (2010).
  3. R.N. Dhital, C. Kamonsatikul, E. Somsook, K. Bobuatong, M. Ehara, S. Karanjit, H. Sakurai, “Low-Temperature Carbon-Chlorine Bond Activation by Bimetallic Gold/Palladium Alloy Nanoclusters: An Application to Ullmann Coupling,” J. Am. Chem. Soc. 134, 20250-20253 (2012).
  4. P. Hirunsit, K. Shimizu, R. Fukuda, S. Namuangruk, Y. Morikawa, M. Ehara, “Cooperative H2 Activation at Ag Cluster/θ-Al2O3(110) Dual Perimeter Sites: A Density Functional Theory Study,” J. Phys. Chem. C. 118, 7996-8006 (2014).