3 citations · 3 across the 1 of their papers we have counts for
3 papers
Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics
Andreas Krämer, Aleksander P. Durumeric, Nicholas E. Charron +3
Machine-learned coarse-grained (CG) models have the potential for simulating large molecular complexes beyond what is possible with atomistic molecular dynamics. However, training…
Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics
Leon Klein, Andrew Y. K. Foong, Tor Erlend Fjelde +5
Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with…
Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics
Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang +6
Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution. However, accur…