MRM2023/IUMRS-ICA2023

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Oral Session

A. Fundamentals » [A-4] New Materials Science on Nanoscale Structures and Functions of "Crystal Defect Cores"

[A4-O201] Oral 201

Tue. Dec 12, 2023 10:00 AM - 12:00 PM Session 6 (Room F)

Chair: Masato Yoshiya (Osaka University), Hyoungjeen Jeen (Pusan National University)

10:55 AM - 11:10 AM

[A4-O201-03] Design of Intercalant-induced Function of Layered Intercalation Compounds via DFT Simulation and Machine Learning

*Naoto Kawaguchi1, Kiyou Shibata1, Teruyasu Mizoguchi1 (1. The Univ. of Tokyo (Japan))

Keywords:Intercalation, First-Principles Calculation, Material Design, Database, Machine Learning

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