We introduce DMTS, a multi-time-step method for ML force fields
✔️×4 speed-up
✔️Accuracy preserved
✔️Generalizable to any ML potential
📄Link: pubs.acs.org/doi/full/10....
The preprint: arxiv.org/abs/2510.06562
@jppiquem.bsky.social
#MolecularDynamics #MachineLearning
We introduce DMTS, a multi-time-step method for ML force fields
✔️×4 speed-up
✔️Accuracy preserved
✔️Generalizable to any ML potential
📄Link: pubs.acs.org/doi/full/10....
The preprint: arxiv.org/abs/2510.06562
@jppiquem.bsky.social
#MolecularDynamics #MachineLearning
1st of the year in J. Phys. Chem. Lett.: "Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation". pubs.acs.org/doi/full/10....
(see also the updated preprint: arxiv.org/abs/2510.06562)
1st of the year in J. Phys. Chem. Lett.: "Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation". pubs.acs.org/doi/full/10....
(see also the updated preprint: arxiv.org/abs/2510.06562)