most citedAllegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization

3 citations · 3 across the 1 of their papers we have counts for

collaborators

1 paper

cs.DC2023★ 3 cited

Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization

Hikaru Ibayashi, Taufeq Mohammed Razakh, Liqiu Yang +8

Neural-network quantum molecular dynamics (NNQMD) simulations based on machine learning are revolutionizing atomistic simulations of materials by providing quantum-mechanical accur…