collaborators

1 paper

cond-mat.mtrl-sci2025

Allegro-FM: Towards Equivariant Foundation Model for Exascale Molecular Dynamics Simulations

Ken-ichi Nomura, Shinnosuke Hattori, Satoshi Ohmura +6

We present a foundation model for exascale molecular dynamics simulations by leveraging an E(3) equivariant network architecture (Allegro) and a set of large-scale organic and inor…