Annual Review of Physical Chemistry · 1987 · 164 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryMachine LearningTheoretical ChemistryComputational ModelingMolecular DynamicsMolecular ModelingMolecular SimulationComputational Molecular 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