Tomoko Yokaichiya (D3) , Department of Chemical System Engineering, received ICQC Poster Prize

Ms.Yokaichiya is on the far left

ICQC Poster Prize

This award is given to a student who has made an outstanding poster presentation at the 17th International Congress of Quantum Chemistry (ICQC2023).

About awarded research
”Effects of Lateral Interactions on Surface Chemical Reactions Revealed by Kinetic Monte Carlo Simulations with Neural Network Potentials”
Heterogeneous catalysts are widely used in a variety of industrial fields, and understanding their mechanisms is important. On a catalyst surface, various adsorbed species interact with each other. The interactions have a significant impact on catalytic activity and reactivity, but have conventionally been treated with approximate models. In this work, we developed a fast and accurate framework that explicitly incorporates the interactions between adsorbates by evaluating energies of the surface structures using neural network potentials, and the effects of the interactions between adsorbates on heterogeneous catalytic reactions are clarified.

Your impression & future plan

I am honored to have won the award. I would like to express my deep appreciation to Professor Nakayama for his kind guidance, and to the members of the laboratory for their supports. I will continue to work hard to conduct research which will be useful for the future society.

The 17th International Congress of Quantum Chemistry The award ceremony :

https://icqc2023.org/photos/saturday/