On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization

T. L. Jacobsen, M. S. Jørgensen, and B. Hammer
American Physical Society (APS)
Published 2018

Publication Date:	2018-01-13
Publisher:	American Physical Society (APS)
Print ISSN:	0031-9007
Electronic ISSN:	1079-7114
Topics:	Physics
Keywords:	Condensed Matter: Structure, etc.
Published by:	http://www.aps.org/