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Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling
[Image: see text] Generating sets of trial structures that sample the configurational space of crystal packing possibilities is an essential step in the process of ab initio crystal structure prediction (CSP). One effective methodology for performing such a search relies on low-discrepancy, quasi-ra...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4750085/ https://www.ncbi.nlm.nih.gov/pubmed/26716361 http://dx.doi.org/10.1021/acs.jctc.5b01112 |