The 103rd CSJ Annual Meeting

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Academic Program [Oral B]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral B

[K202-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Wed. Mar 22, 2023 9:00 AM - 11:10 AM K202 (K202, Lecture Hall Bldg. [2F])

Chair: Gergely Juhasz, Satoshi Takahashi

9:40 AM - 10:00 AM

[K202-1am-03] Differences of molecular absorption on titanium-dioxide surface - a computational study

○Gergely Juhasz1 (1. Tokyo Institute of Technology)

[Lang.] English

Keywords:titanium-dioxide, DFTB, Bayesian optimization