Annual Review of Physical Chemistry · 1971 · 367 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsTheoretical ChemistryChemical BondingMolecular BondingMolecular DynamicsMolecular ModelingMolecular Orbital TheoryMolecular SimulationComputational Molecular ModelingHydrogen Bond DynamicsHydrogen BondingHydrogen Bonding ModelsHydrogen-bond NetworksMachine Learning Potential Energy Surfaces
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