Quantum Chemistry

Theory and computation-guided approach: Smart Materials Science

Development of “Predictive” Chemical Theory for Reaction, Electron, and Spectroscopy and programs, as well as advanced computational chemistry applications. First-principle excited-state reaction dynamics, theory-guiding catalytic design with element strategy, development of a large-scale electronic structure theory, near-field molecular theory, reaction informatics.

Faculty

  • TAKETSUGU Tetsuya Professor
  • KOBAYASHI Masato Associate Professor
  • IWASA Takeshi Assistant Professor