FlashMD: long-stride, universal prediction of molecular dynamics

NeurIPSSpotlight2025

Authors
Filippo Bigi, Sanggyu Chong, Agustinus Kristiadi, Michele Ceriotti
Venue
NeurIPS 2025
Track
Spotlight

TL;DR

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces…

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