Research interests in our Quantum Chemistry Research Group (QCRG：Okada-Abe-Akase Group) focus on a molecular-level understanding of a range of curious phenomena in chemistry in terms of quantum chemistry. We examine what is happening in our target systems from various aspects, such as experimentation, computational simulation, and basic theories of physical chemistry, to elucidate or predict chemical phenomena. Okada's main interest directs to solution structures by use of synchrotron-based spectroscopic methods in the region from ultraviolet to soft X-rays, plus chemometric analyses of the data. Abe's main interest is developing computational methods based on relativistic quantum chemistry to elucidate complicated electronic structures for molecules involving heavy elements, and their application to geochemical or physical phenomena. Akase’s main interest is investigating the molecular structures in solution or condensed systems using molecular dynamics method, Monte Carlo method, enumeration, machine learning, etc. In spite of different main interests and research tools, a frank discussion is made periodically within our group for better understanding of the results we have obtained. We welcome students who express great interest in physical chemistry and applying it to a new field of science, who love computers or programming (or who want to be able to do it), or who want to do both computational research and experiment. Let's enjoy research together in QCRG!! For details, please visit the webpage of each staff or contact us directly by e-mail.
Dr. Kazumasa Okada (Associate Professor)
Expertise: Spectroscopy and photochemistry in the soft X-ray region
Room: 505 at Building C in School of Science, Higashi-Hiroshima campus
Email: okadak (a) hiroshima-u.ac.jp
Dr. Minori Abe (Associate Professor)
Expertise: Development and Application of Relativistic Quatum Chemistry
Room: 504 at Building C in School of Science, Higashi-Hiroshima campus
Email: minoria (a) hiroshima-u.ac.jp
Apr. 2022 Dr. Dai Akase moved to Global Career Design Center in Hiroshima University.
Sep. 2021 We launched up a new webpage.
Apr. 2021 Dr. Minori Abe joined this group as an associate professor.