Global minima optimization via mirror-rotation transformation
Rapidly finding low-energy structures on high-dimensional potential energy surfaces remains a challenging problem for cluster science. We present a fast optimization method for structure prediction named mirror-rotation searching, which is inspired by the idea of symmetry and conservation. Our searc...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2022-12-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.4.L042045 |