Materials Research Meeting 2021

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Oral Session

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

[A1-O7] Slot 07

Wed. Dec 15, 2021 2:30 PM - 6:00 PM 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)

3:20 PM - 3:40 PM

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

*Tomofumi Tada1,2 (1. Kyushu Univ. (Japan), 2. Tokyo Tech. (Japan))

Keywords:First principles calculation, machine learning, ionic conductor, ionic diffusion, Monte Carlo

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