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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