34th IUPAP Conference on Computational Physics（CCP2023）

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Poster

Poster

Poster 2

Mon. Aug 7, 2023 4:00 PM - 6:00 PM Reception Hall (3F)

[PS2-07] Molecular dynamics study of Fe-Light-Element mixtures under high pressure using DFT and neural network interatomic potential

*Satoshi Ohmura1, Kohei Shimamura2, Fuyuki Shimojo2 (1. Hiroshima Inst. of Tech. (Japan), 2. Kumamoto Univ. (Japan))

Keywords:Liquid Fe alloys, Molecular dynamics, Machine learning interatomic potential, High pressure

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