523452 Mapping Configurationally-Dependent Electronic Structure to Coarse-Grained Models with Machine Learning

Nicholas Jackson, Institute for Molecular Engineering, Argonne National Laboratory, Lemont, IL, Venkatram Vishwanath, Argonne National Laboratory, Lemont, IL and Juan J. de Pablo, Institute for Molecular Engineering, University of Chicago, Chicago, IL
See more of this Session: Data Mining and Machine Learning in Molecular Sciences II
See more of this Group/Topical: Computational Molecular Science and Engineering Forum