Molecular Dynamics Study of Catalytic H2/O2 Recombination on Nanoclusters Using UNNP

This study leverages Universal Neural Network Potentials to simulate H2/O2 recombination on metal nanoclusters, revealing atomistic mechanisms and catalytic ...

Level: expert

By Yusuke Tateishi, Louise M. Botha, Alina E. Kozhukhova, Manabu Sugimoto, Ken-ichi Aika, and Dmitri G. Bessarabov

Category: research