[2A09-10] International sess.(3)

1:00 PM - 1:30 PM JST(4:00 AM - 4:30 AM UTC)Japanese

[2A09] Modeling heterogeneous catalysis by AI that integrates experimental and theoretical data

○Ray Miyazaki¹ (1. Institute for Catalysis, Hokkaido University)

Keywords:

Heterogeneous Catalysis,AI,CO2 Hydrogenation

Theoretical and experimental data were integrated using AI to clarify the properties of materials that describe catalytic performance. The effect of additive metals on the support was analyzed in the target of CO₂ hydrogenation in a silica-supported cobalt catalyst. Combining experimental and theoretical data improves the performance of the AI model, suggesting that cobalt silicate at the catalytic interface is an important site for methanol production. We also searched for new high-performance catalysts and tested the accuracy of AI by synthesizing them.