MRM2023/IUMRS-ICA2023

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Oral Session

A. Fundamentals » [A-5] Advanced Algorithms and Tools for Materials Informatics

[A5-O101] Oral 101

Mon. Dec 11, 2023 1:30 PM - 4:00 PM Session 2 (Room C-2)

Chair: Hiori Kino (NIMS), Milica Todorović (University of Turku), Tetsuya Fukushima (AIST)

2:30 PM - 2:45 PM

[A5-O101-04] A Neural Network Simulation Method to Investigate Ion Behavior under External Electric Fields: Applications to Crystalline and Amorphous Li3PO4

*Koji Shimizu1, Ryuji Otsuka1, Satoshi Watanabe1 (1. UTokyo (Japan))

Keywords:Born effective charge, neural network (potential), density functional (perturbation) theory

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