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Exchanging Replicas with Unequal Cost, Infinitely and Permanently

[Image: see text] We developed a replica exchange method that is effectively parallelizable even if the computational cost of the Monte Carlo moves in the parallel replicas are considerably different, for instance, because the replicas run on different types of processor units or because of the algo...

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Detalles Bibliográficos
Autores principales: Roet, Sander, Zhang, Daniel T., van Erp, Titus S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9720720/
https://www.ncbi.nlm.nih.gov/pubmed/36394633
http://dx.doi.org/10.1021/acs.jpca.2c06004