KIMIHIKO HIRAO

Unit Leader

Next-generation Molecular Theory Unit, Advanced Science Institute, RIKEN

Address: 2-1, Hirosawa, Wako, Saitama 351-0198, Japan.

Email: hirao@riken.jp

WWW: http://www.riken.jp/qcl/members/hirao/hirao.html

Phone: +81-48-462-1365

Fax: +81-3-3216-1883

Born on November 9, 1945 in Niihama, Japan, obtained B.S. in 1969 and Ph.D in 1974 both from Kyoto University. A postdoctral at University of Alberta (Prof. Sigeru Huzinaga) in 1974-1975 and worked with Prof. Roy McWeeny at Sheffield University in 1978-1979. Professor at Nagoya University in 1988 and moved to The University of Tokyo in 1993. A Visiting Professor at Institute for Molecular Science (IMS) in 1989-1990 and 2002-2003. A Visiting Professor of The University of the Air from 2003-. Dean of School of Engineering, The University of Tokyo in 2004-2006. Author of more than 280 scientific articles in Theoretical Chemistry.

Multireference Moller-Plesset Theory: Development of Multireference Moller-Plesset (MRMP) theory. MRMP can handle any state, regardless of charge, spin, or symmetry, and has surprisingly high and consistent accuracy. MRMP has been successfully applied to a number of chemical and spectroscopic problems.
Relativistic Molecular Theory: Development of the 2-component RESC and the higher-order Douglas-Kroll (DK) Hamiltonians. RESC and third-order DK methods can easily be incorporated into any ab initio and DFT theory, and proved to be efficient and reliable. A highly efficient computational scheme for solving 4-component Dirac-Fock and Dirac-Kohn-Sham equations is also developed.
New DFT Functionals: Development of parameter-free exchange and OP correlation functionals that satisfy physical requirements. Development hybrid GGA functional with correct long-range electron-electron interactions. New hybrid GGA has good energetics, good Rydberg behavior, good charge transfer predictions, and good optical response. Accurate description of van der Waals interactions.
UTChem: A quantum chemistry program package, UTChem, has been developed in the research group. UTChem is based on an efficient integral package, and consists of various program codes of ab initio, DFT, relativistic theory, dynamics, etc.

International Academy of Quantum Molecular Science, elected 2002
The World Association of Theoretically Oriented Chemists, elected 2002
The International Society of Theoretical Chemical Physics
Asian Pacific Association of Theoretical & Computational Chemists, President
Fellow of Royal Society of Chemistry
The Chemical Society Award, The Chemical Society of Japan (2004)
Fukui Medal, Asia Pacific Association of Theoretical & Computational Chemists (2007)

These total approximately 80 and include Coochbehar Professorship Lecture (India, 07), Mulliken Lecture (USA, 06), Phys.Chem. Chem.Phys.Lecture (Switzerland,03), Puri (India, 07), Kolkata (India, 06), Chania (Greece, 06), St.Petersberg (Russia, 06), Girona (Spain, 06), Atlanta (USA, 06), Honolulu (USA, 05), Bangkok (Thailand, 05), Dusseldorf (Germany, 05), San Diego (USA, 05), Cape Town (South Africa, 05), Taichung (Taiwan, 04), Genongju (Korea, 04), Hobart (Australia, 04), Singapore (Singapore 03), Bonn (Germany, 03), Melbourne (Australia, 03), Pohang (Korea 03), Palermo (Italy, 02), Lugano (Switzerland, 02), and Lyon (France, 02)

Advisory Editor, Journal of Physical Chemistry
Advisory Editor, Journal of Computational Chemistry
Advisory Editor, Theoretical Chemistry Accounts
Advisory Editor, Molecular Physics
Advisory Editor, Chemical Physics Letters
Advisory Editor, International Journal of Molecular Sciences
Advisory Editor, Journal of Theoretical and Computational Chemistry
Advisory Editor, Electric Journal of Mathematical and Physical Science
Advisory Editor, International Journal of Applied Chemistry
Advisory Editor, Trends in Physical Chemistry (Research Trends)
Advisory Editor, Progress in Theoretical Chemistry and Physics
Advisory Editor, Computing Letters