Research

Our current research activities cover the following areas:

Theories of chemical reactions and solvent systems.
Quantum chemical design of novel reactions, chemical bonding, and molecular properties.
Statistical mechanics of chemical processes.

Selected Publications

S. Sakaki, Y.-y. Ohnishi, H. Sato, Chem. Record., 10, 29-45 (2010).
N. Ochi, Y. Matano, Y. Nakao, H. Sato, S. Sakaki, J. Am. Chem. Soc., 131, 10955-10963 (2009).
"Theoretical Study of Rhodium(III)-Catalyzed Hydrogenation of Carbon Dioxide into Formic Acid," Yasuo Musashi and Shigeyoshi Sakaki, J. Am. Chem. Soc., 124, 7588-7603 (2002).
"Ab initio Theoretical Study of Water: Extension to Extreme Conditions," Fumio Hirata and Hirofumi Sato, in Structure and Function of Biological Systems under Extreme Conditions, Springer-Verlag, Berlin, (2001).

Our works are supported by Grant-in-Aids for Specially Promoted Research (SPR) (No. 22000009) and the Grand Challenge Project (IMS) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan.

For details of SPR, please visit this page and refer to this pdf file.