[H937-4pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

2:30 PM - 2:50 PM JST(5:30 AM - 5:50 AM UTC)Japanese

[H937-4pm-05] Exploration of alloy catalyst with highly reactive atomic configuration using a universal neural network potential and a generative model

○Kaoru Hisama¹, Atsushi Ishikawa², Susan Menez Aspera¹, Michihisa Koyama¹ (1. Shinshu Univ., 2. Tokyo Tech.)

Keywords:

Heterogeneous catalyst,Neural Network Potential,Generative adversarial networks,Density functional theory