Large scale atomistic simulations driven by neural-network potential molecular dynamics and kinetic Monte Carlo with external fields

Tomofumi Tada

講演情報

Oral Session

A. New Materials Methodology for Next-Generation » [A-1] STAM Methods: Leading-Edge Methods for New Materials

[A1-O7] Slot 07

2021年12月15日(水) 14:30 〜 18:00 Room R (G319)

Chair: Hieu-Chi Dam (Japan Advanced Institute of Science and Technology), Junjie Wang (Northwestern Polytechnical University), Junya Inoue (The University of Tokyo)

15:20 〜 15:40

[A1-O7-03(Symposium Invited)] Large scale atomistic simulations driven by neural-network potential molecular dynamics and kinetic Monte Carlo with external fields

*Tomofumi Tada^1,2 (1. Kyushu Univ. (Japan), 2. Tokyo Tech. (Japan))

キーワード：First principles calculation, machine learning, ionic conductor, ionic diffusion, Monte Carlo

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