Department

Research Center for Computational Science
Theoretical and Computational Molecular Science, Computational Molecular Science (Concurrent Position)
Center for Mesoscopic Sciences, Supersensitive Measurements (Concurrent Position)

Biography

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)
2019. Nov- Center for Mesoscopic Sciences, Supersensitive Measurements (adjunct)

Main research themes

Fundamental Chemistry of Complex Systems using Advanced Electronic Structure Theories

Quantum Chemistry, Photophysical Chemistry, Heterogeneous Catalysis

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).