First-Principles Simulation Group
2016.04.01 UpdateWe 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
Group Member
Related File / Link
Inquiry about this page
- First-Principles Simulation Group
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1-1 Namiki, Tsukuba-city, Ibaraki, 305-0044 JAPAN
E-Mail: MIYAZAKI.Tsuyoshi=nims.go.jp(Please change "=" to "@")