Machine-Learned Fragment-Based Energies for Crystal Structure Prediction. (2019)

First Author: McDonagh D
Attributed to:  Tier 2 Hub in Materials and Molecular Modelling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.9b00038

PubMed Identifier: 30817152

Publication URI: http://europepmc.org/abstract/MED/30817152

Type: Journal Article/Review

Volume: 15

Parent Publication: Journal of chemical theory and computation

Issue: 4

ISSN: 1549-9618