Information

Official site

http://ann.phys.sci.osaka-u.ac.jp/CMD/STATE-Senri/STATE_1.html

License

Availability

K supercomputer, Xeon 2.96GHz, ISSP system B (SGI Altix ICE), and NEC SX

Core Developers

Yoshitada Morikawa (Graduate School of Engineering, Osaka University)

Target substance/model

Solid–fluid interface

Physical quantities that can be computed

Electron state, reaction path, and activation barrier

Methodology

Plane wave ground state first-principles molecular dynamics

Related keywords