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A Global Optimizer for Nanoclusters
We have developed an algorithm to automatically build the global minimum and other low-energy minima of nanoclusters. This method is implemented in PyAR (https://github.com/anooplab/pyar) program. The global optimization in PyAR involves two parts, generation of several trial geometries and gradient...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776882/ https://www.ncbi.nlm.nih.gov/pubmed/31612127 http://dx.doi.org/10.3389/fchem.2019.00644 |