講演情報

[B-109L]From Quantum Computing to Molecular Dynamics with Machine-Learning Interatomic Potentials

○Tuan Minh Do1, Yuichiro Yoshida1, Tomoya Shiota1, Kenji Ishihara1, Wataru Mizukami1 (1. The University of Osaka)

キーワード:

Quantum computing、Machine-learning interatomic potentials、Molecular dynamics、Wave-function-in-DFT embedding、Free-energy calculations