Annual Review of Physical Chemistry · 1993 · 195 citations · 0 references
Natural SciencesChemistryComputational ChemistryMachine LearningTheoretical ChemistryAtomistic SimulationMolecular DynamicsMolecular ModelingMolecular Property PredictionMolecular SimulationSolvation ModelingComputational Molecular ModelingComputer Simulation FrameworksHydrogen Bond DynamicsHydrogen Bonding ModelsMachine Learning Potential Energy SurfacesMolecular Dynamics SolvationMolecular 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