most citedDeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials

100 citations · 101 across the 6 of their papers we have counts for

collaborators
Showing cs.DCShow all

1 paper · 1 filter

cs.DC2025

Scaling Neural-Network-Based Molecular Dynamics with Long-Range Electrostatic Interactions to 51 Nanoseconds per Day

Jianxiong Li, Beining Zhang, Mingzhen Li +7

Neural network-based molecular dynamics (NNMD) simulations incorporating long-range electrostatic interactions have significantly extended the applicability to heterogeneous and io…