Annual Review of Physical Chemistry · 1977 · 101 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryTheoretical ChemistryMolecular DynamicsMolecular ModelingMolecular Property PredictionMolecular SimulationMolecular ThermodynamicsSolvation ModelingComputational Molecular ModelingLinear MoleculesMolecular Simulation AlgorithmsMolecular Simulation-based EstimationSolvent 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