Annual Review of Physical Chemistry · 1979 · 65 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryMachine LearningTheoretical ChemistryMolecular DynamicsMolecular ModelingMolecular Orbital TheoryMolecular Quantum MechanicsMolecular SimulationComputational Molecular ModelingElectronic Transition AssignmentMolecular Simulation AlgorithmsQuantum Chemical 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