Advancing molecular simulation with equivariant interatomic potentials
Simon Batzner, Albert Musaelian, Boris Kozinsky
Topics & Concepts
Robustness (evolution)Computer scienceStatistical physicsEuclidean geometryEuclidean spaceSymmetry (geometry)Molecular dynamicsEquivariant mapEuclidean distanceArtificial intelligenceTheoretical physicsTheoretical computer sciencePhysicsMathematicsQuantum mechanicsPure mathematicsChemistryGeometryBiochemistryGeneMachine Learning in Materials ScienceProtein Structure and DynamicsMass Spectrometry Techniques and Applications