Annual Review of Physical Chemistry · 1958 · 162 citations · 0 references
Natural SciencesChemistryComputer ScienceComputational ChemistryMachine LearningOrganic ChemistryComputational ModelingMolecular DynamicsMolecular ModelingMolecular Property PredictionMolecular SimulationReaction Mechanism ModelingComputational Molecular ModelingComputational Prediction ModelsMachine 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