Crystal Structure Prediction Using an Age-Fitness Multiobjective Genetic Algorithm and Coordination Number Constraints
Crystal structure prediction (CSP) has emerged as one of the most important approaches for discovering new materials. CSP algorithms based on evolutionary algorithms and particle swarm optimization have discovered a great number of new materials. However, these algorithms based on ab initio calculat...
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| Vydané v: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Ročník 126; číslo 4; s. 640 |
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| Hlavní autori: | , , |
| Médium: | Journal Article |
| Jazyk: | English |
| Vydavateľské údaje: |
United States
03.02.2022
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| ISSN: | 1520-5215, 1520-5215 |
| On-line prístup: | Zistit podrobnosti o prístupe |
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