About Quantum Materials Simulation Group
We quantitatively elucidate the physical properties of complex systems using first-principles methods
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 Members
LU Anh Khoa Augustin
Senior Researcher
