OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.
- Resource Type
- Article
- Authors
- Eastman, Peter; Galvelis, Raimondas; Peláez, Raúl P.; Abreu, Charlles R. A.; Farr, Stephen E.; Gallicchio, Emilio; Gorenko, Anton; Henry, Michael M.; Hu, Frank; Huang, Jing; Krämer, Andreas; Michel, Julien; Mitchell, Joshua A.; Pande, Vijay S.; Rodrigues, João PGLM; Rodriguez-Guerra, Jaime; Simmonett, Andrew C.; Singh, Sukrit; Swails, Jason; Turner, Philip
- Source
- Journal of Physical Chemistry B; 1/11/2024, Vol. 128 Issue 1, p109-116, 8p
- Subject
- Language
- ISSN
- 15206106