Annual Review of Physical Chemistry · 1992 · 439 citations · 0 references
Natural SciencesChemistryComputer ScienceComputational ChemistryMachine LearningTheoretical ChemistryComputational ModelingEnergy MinimizationMolecular DynamicsMolecular ModelingMolecular Property PredictionMolecular SimulationComputational Molecular ModelingMolecular 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