[K202-2pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[K202-2pm-06] Theoretical investigation of atomic and electronic structures of supported metallic nanoparticles by large-scale DFT and machine learning

^○Shengzhou Li^1,2, Tsuyoshi Miyazaki^2,1, Ayako Nakata^2,1 (1. University of Tsukuba, 2. National Institute for Materials Science)

[Lang.] English

Keywords:Metallic Nanoparticles, Catalyst, Large-scale DFT Calculation, Machine Learning