MRM2023/IUMRS-ICA2023

Presentation information

Poster Session

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

[A5-P501] Poster 501

Fri. Dec 15, 2023 10:00 AM - 12:00 PM Poster (Annex)

[A5-P501-19] Graph Neural Network Molecular Dynamics Study of Thermal Degradation of Clean and Oxygen-terminated Diamond (111) and (100) Surfaces

*John Isaac Guinto Enriquez1, Harry Handoko Halim1, Takahiro Yamasaki2, Masato Michiuchi2, Kouji Inagaki1, Masaaki Geshi3, Ikutaro Hamada1, Yoshitada Morikawa1,4 (1. Graduate School of Engineering, Osaka Univ. (Japan), 2. Advanced Materials Laboratory, Sumitomo Electric Industries Ltd. (Japan), 3. R^3 Institute for Newly-Emerging Science Design, Osaka Univ. (Japan), 4. Research Center for Precision Engineering, Graduate School of Engineering, Osaka Univ. (Japan))

Keywords:graph neural network molecular dynamics, diamond graphitization, diamond oxidation

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