[16p-K505-1~17] 23.1 Joint Session N "Informatics"

1:15 PM - 1:30 PM JST(4:15 AM - 4:30 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[16p-K505-2] Exploring catalysts for ammonia synthesis using databases and machine learning models II

〇Takuya Horita¹, Ryoji Asahi¹ (1.Nagoya Univ.)

Keywords:

catalysts for ammonia synthesis,machine learning

The conventional ammonia synthesis method under high temperature and high pressure emits high CO2 emissions, so catalytic materials have been developed to realize ammonia synthesis under mild conditions. I evaluated the adsorption energy of nitrogen for the material database using a machine learning model. I used self-attention mechanism to obtain guidelines for material design by examining in detail the relationship between materials and compositions that are expected to have high activity from volcano type plots.