First-Principles Simulation Group
We are aiming to clarify and predict the materials properties and functions, such as dynamical processes on nano-structure formation, exotic properties of nano-scale materials and so on, by using first-principles simulation techniques. Efficient and reliable simulations techniques based on quantum mechanics are also developed.
Specialized Research Field
The research subject progressing at present is indicated below.
- Surface/Interface Science: Surface Dynamics, Nano-Structured Surfaces
- Electron Dynamics: Electron Transport, Molecular Electronics
- Materials Science: Dielectric Materials, Metal Oxides, CNT
- Bio-Systems: First Principles Simulations of Bio-system
- Code/Method: Nano-simulation system, Linear-scaling DFT code
