K. Nomura

Benchmarking Universal Machine Learning Force Fields for Molecular Dynamics of Lunar Regolith Minerals

Universal machine-learning interatomic potentials provide a promising route for accelerating molecular dynamics simulations of materials, but their transferability to lunar regolith-relevant silicates, oxides, and hydrogen-bearing surface species remains elucidated. Here, we benchmark six foundation models, MACE-MH, Ma...