Annual Review of Physical Chemistry · 1969 · 61 citations · 0 references
Natural SciencesChemistryComputer ScienceComputational ChemistryMachine LearningTheoretical ChemistryComputational ModelingMolecular ModelingMolecular SimulationReaction DynamicsReaction Mechanism ModelingReaction PathwaysChemical Mechanisms ModelingMachine Learning Potential Energy SurfacesMolecular 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