DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
Han Wang, Linfeng Zhang, Jiequn Han, E Weinan
Topics & Concepts
Molecular dynamicsRepresentation (politics)Computer scienceStatistical physicsDynamics (music)Energy (signal processing)Computational scienceArtificial intelligencePhysicsComputational chemistryChemistryQuantum mechanicsLawPoliticsAcousticsPolitical scienceMachine Learning in Materials ScienceProtein Structure and DynamicsAdvanced Chemical Physics Studies