研究室紹介

Recent advances in computational performance and algorithmic techniques have made it possible to perform molecular simulations for large-scale realistic systems. We research to create and discover new chemical concepts based on the principles of quantum mechanics by utilizing supercomputers and high-performance computer servers in our laboratory. In particular, we focus on cutting-edge research topics such as "electronic properties of molecules and solids", "enzyme-mimetic catalysis", and "molecular theory of adhesion". Exploring answer for questions such as "why a material has a particular structure", "what electronic properties it exhibits", and "how it reacts", we develop these findings into theoretical designs of materials with desirable properties. We also actively collaborate with experimental researchers in various fields.