10.6084/m9.figshare.6170057.v1 Francesco Paesani Francesco Paesani Andreas W. Goetz Andreas W. Goetz Andrea Zonca Andrea Zonca Data-Driven Models for Predictive Molecular Simulations figshare 2018 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 2018-04-23 05:20:17 Presentation https://figshare.com/articles/presentation/Data-Driven_Models_for_Predictive_Molecular_Simulations/6170057 Summary slide