A Program System with Hierarchical Quantum Chemical Methods for Accurate Calculations of Biological Molecules

Research Project Outline

Based on highly accurate ab initio theory, we are developing novel computational methods for biological molecules with quantum mechanical (QM/QM) and molecular mechanical (QM/MM) hierarchies. Reliable and robust simulation techniques granted by the studies of low scaling and novel wave function methods along with the cultivation of new molecular properties will provide the bases of modern science and technology which enable us to study electronic states, dynamics, and properties transcending the limitation of a field.

Research Director
Professor, Kobe University
Research Started
Research Area
High Performance Computing for Multi-Scale and Multi-Physics Phenomena
Research Areas by Category
Research Areas Completed
Researcher Index