Annual Review of Physical Chemistry · 1956 · 367 citations · 0 references
Natural SciencesChemistryComputer ScienceComputational ChemistryMachine LearningTheoretical ChemistryComputational ModelingMolecular DynamicsMolecular ModelingMolecular Property PredictionMolecular SimulationStatistical MechanicsComputational Molecular ModelingMachine Learning Potential Energy SurfacesMachine Learning Property PredictionMolecular Simulation Algorithms
Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution and have already been profoundly affected by the application of existing ML ...Read More