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...

Descripción completa

Detalles Bibliográficos
Autores principales: Case, David H., Campbell, Josh E., Bygrave, Peter J., Day, Graeme M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
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

Internet

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

Ejemplares similares