DataX Workshop

A two-day virtual workshop covering theory and hands-on tutorials on the software package for molecular simulation with machine learning (ML) tools developed at the Computational Chemical Science Center “Chemistry in Solution and at Interfaces” (http://chemlabs.princeton.edu/ccsc/(link is external)).  The package includes codes to construct and use deep neural network models of the potential energy surface and electronic properties of multi-atomic systems that reproduce the results of electronic density functional theory.