[[ Japanese version ]]

Research overview

The concept

"Development of Novel Quantum-Chemical Theory and Concept in Chemistry" is the most important theme of our institute. Our research activity is aimed to figure out the universal principles in chemistry and also to predict new chemical phenomena by applying the new chemical principles.

Our dream can be briefly expressed as "Proposing Highly-Original Theory in Chemistry". We are realizing this dream through the active discussions in the laboratory.

Theoretical approaches can directly investigate the essential part of the chemical phenomena, which is a great advantage over the experimental studies. This is because theoretical study is free from the restrictions such as the limitation in the experimental facilities, conditions, and chemical reagents.

With this basic standpoint, we are studying

  • General method for solving Schrödinger and Dirac-Coulomb equations,
  • Theory for studying chemical phenomena involving excited states,
  • Electronic mechanism of life phenomena,
  • Theory for studying gigantic molecular system such as proteins and crystals,
  • New concept for studying catalytic reactions, and
  • Development of relativistic quantum chemistry.
These studies have received a high acclaim from worldwide academic societies.

In order to apply our theories to the actual complex system, we are also focusing on the high-performance computing by developing efficient computational algorithm and software.