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