First-Principles Simulation Group

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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

Group Leader

(*Open in new window) Tsuyoshi MIYAZAKI

Group Member

(*Open in new window) Jun NARA

(*Open in new window) Ayako NAKATA

(*Open in new window) Ryo TAMURA

Related File / Link

Group website (*Open in new window)

Inquiry about this page

First-Principles Simulation Group: 1-1 Namiki, Tsukuba-city, Ibaraki, 305-0044 JAPAN
E-Mail: MIYAZAKI.Tsuyoshi=nims.go.jp(Please change "=" to "@")