The 101st CSJ Annual Meeting

Presentation information

Academic Program [Oral A]

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

[A26-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 21, 2021 1:00 PM - 2:30 PM Room 26 (Online Meeting)

Chair:Hirofumi Sato, Manabu Sugimoto

2:00 PM - 2:10 PM

[A26-3pm-07] Descriptor of adsorption energy on alloy nanoparticles by element-based generalized coordination number

Yusuke Nanba1, Michihisa Koyama1 (1. Shinshu University)

[Lang.] Japanese

Keywords:Alloy nanoparticles, Density functional theory, Supervised learning