Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields
Author:
Affiliation:
1. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
2. Division of Chemistry, NRCN, P.O. Box 9001, Beer-Sheva 84190, Israel
Funder
Engineering and Physical Sciences Research Council
University of Cambridge
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.9b02810
Reference66 articles.
1. Atomic Radii and Interatomic Distances in Metals
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4. ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order
5. Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields
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