Annual Review of Physical Chemistry · 1990 · 447 citations · 2 references
Natural SciencesChemistryPhysicsComputational ChemistryMachine LearningTheoretical ChemistryMolecular DynamicsMolecular ModelingMolecular SimulationMolecular VibrationSpectroscopy SimulationVibrational StructureComputational Molecular ModelingComputational Vibrational SpectroscopyIntermolecular VibrationsMolecular Simulation AlgorithmsMolecular Vibrational DynamicsPolyatomic Molecular VibrationsVibrational Spectra SimulationVibrational Spectroscopy Simulations
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
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Chemistry International · 2014 · 218 citations · Full text