Annual Review of Physical Chemistry · 1984 · 892 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryMachine LearningTheoretical ChemistryMolecular DynamicsMolecular ModelingMolecular SimulationStatistical MechanicsTransition State TheoryVariational FormulationCanonical Variational Transition State TheoryMachine Learning Potential Energy SurfacesMolecular Simulation AlgorithmsTransition State Modeling
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