[K202-1am] 02. 理論化学・情報化学・計算化学

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

^○Gergely Juhasz¹ (1. Tokyo Institute of Technology)

［言語］英語

キーワード：titanium-dioxide, DFTB, Bayesian optimization