Sphere encapsulated Monte Carlo : obtaining minimum energy configurations of large aromatic systems
We introduce a simple global optimization approach that is able to find minimum energy configurations of clusters containing aromatic molecules. The translational and rotational perturbations required in Monte Carlo-based methods often lead to unrealistic configurations within which two or more mole...
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| Main Authors: | , , , |
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| 其他作者: | |
| 格式: | Article |
| 語言: | English |
| 出版: |
2021
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| 主題: | |
| 在線閱讀: | https://hdl.handle.net/10356/152203 |
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| 機構: | Nanyang Technological University |
| 語言: | English |