34th IUPAP Conference on Computational Physics（CCP2023）

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Poster

Poster

Poster 1

Sat. Aug 5, 2023 4:10 PM - 6:10 PM Reception Hall (3F)

[PS1-38] Structural changes in LiCoO2 electrode:A combined approach with cluster expansion and Bayesian optimization

*Fumiaki Kuroda1, Satoshi Hagiwara1, Minoru Otani1 (1. Center for Computational Sciences, University of Tsukuba (Japan))

Keywords:DFT, Bayesian optimization, Battery

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