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.