Improvement of look ahead based on quadratic approximation for crystal structure prediction
Crystal structure prediction based on first-principles calculations is usually time-consuming since a lot of candidate structures have to be locally optimized. Look Ahead based on Quadratic Approximation, which is one of the selection-type algorithms we previously developed, can control the optimiza...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2022-12-01
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| Series: | Science and Technology of Advanced Materials: Methods |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/27660400.2022.2059335 |