Physical Chemistry Division
Laboratory for Quantum Chemistry
Members
- Mitsutaka OKUMURA (Professor)
- Shusuke YAMANAKA (Associate Professor)
- Takashi KAWAKAMI (Assistant Professor)
Contact
- e-mail:
- web page: http://www.chem.sci.osaka-u.ac.jp/lab/guchi/index_e.html
Research areas
- Theoretical studies of the molecular and electronic structures of atoms, molecules, and their clusters.
- Theoretical studies of chemical reactions.
- Theoretical studies of electronic, magnetic, and photoactive properties.
- Theoretical studies of functional, informatics, and mathematical systems.
In this laboratory, theoretical and computational investigations are applied to many problems in chemistry. We employ quantum mechanics, statistics, and informatics theories to investigate the fundamental nature of electronic and molecular structures. Ab initio MO program packages based on our theories are developed to study molecular clusters and biological phenomena, which advance a wide range of chemical research areas. Accurate large-scale calculations, as well as the visualization of results using supercomputers, interrogate intriguing chemical phenomena in preparation for experimental studies.
