Data-Driven Models for Predictive Molecular Simulations Francesco Paesani Andreas W. Goetz Andrea Zonca 10.6084/m9.figshare.6170057.v1 https://figshare.com/articles/presentation/Data-Driven_Models_for_Predictive_Molecular_Simulations/6170057 Summary slide 2018-04-23 05:20:17 NSF-SI2-2018-Talk Machine learning Molecular dynamics Electronic structure Computational Chemistry Environmental Chemistry Molecular Physics Physical Chemistry of Materials Quantum Chemistry Statistical Mechanics in Chemistry Structural Chemistry and Spectroscopy Theoretical and Computational Chemistry not elsewhere classified