Topology-Based Machine Learning Strategy for Cluster Structure Prediction
Author:
Affiliation:
1. School of Advanced Materials, Shenzhen Graduate School, Peking University, Shenzhen 518055, People’s Republic of China
2. Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, United States
Funder
National Key RD Program of China
NSF Grants
Soft Science Research Project of Guangdong Province
Shenzhen Science and Technology Research Grant
NIH grants
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c00974
Reference78 articles.
1. Exponential multiplicity of inherent structures
2. Ab initiorandom structure searching
3. Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
4. Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
5. Optimization by Simulated Annealing
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