研究室紹介
Computational Molecular Science
Department of Applied Molecular Chemistry Institute for Materials Chemistry and Engineering, Faculty of Engineering
Department of Interdisciplinary Engineering Sciences, Interdisciplinary Graduate school of Engineering Sciences
Department of Interdisciplinary Engineering, School of Engineering
We develop and apply computational approaches based on theoretical and computational chemistry and computational science to elucidate the mechanisms of condensed phase chemical reactions and structures & functions of (bio)molecules. In particular, we work on molecular simulations which offer atomistic insights into the complex behavior of molecules in solution. By utilizing these computational approaches, we aim at understanding and modifying the functions of polymers and biomolecules.
Staff
Assoc.Prof. Toshifumi Mori
The Main Research Topics
- Development of molecular theories for chemical reaction dynamics in condensed phase
- Molecular simulation of biomolecules to elucidate the mechanism behind functions
- Theoretical studies on conformational dynamics of proteins
- Theoretical studies on reaction mechanisms of organic catalysts and enzymes
