Annual Review of Physical Chemistry · 1978 · 173 citations · 1 references
Natural SciencesChemistryPhysicsComputational ChemistryMachine LearningTheoretical ChemistryMolecular DynamicsMolecular ModelingMolecular Property PredictionMolecular SimulationMolecular ThermodynamicsSolvation ModelingComputational Molecular ModelingMachine Learning Potential Energy SurfacesMachine Learning Property PredictionMolecular 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
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