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Data-Driven Models for Predictive Molecular Simulations
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posted on 2018-04-23, 05:08 authored by Francesco PaesaniFrancesco Paesani, Andrea ZoncaAndrea Zonca, Andreas W. GoetzPoster.
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OAC-1642336
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NSF-SI2-2018Machine learningMolecular dynamicsElectronic structureVibrational spectroscopyComputational ChemistryMolecular PhysicsEnvironmental ChemistryPhysical Chemistry of MaterialsQuantum ChemistrySolution ChemistryStatistical Mechanics in ChemistryTheoretical and Computational Chemistry not elsewhere classified
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