Towards Molecular Simulations that are Transparent, Reproducible, Usable By Others, and Extensible (TRUE)

Systems composed of soft matter (e.g., liquids, polymers, foams, gels, colloids, and most biological materials) are ubiquitous in science and engineering, but molecular simulations of such systems pose particular computational challenges, requiring time and/or ensemble-averaged data to be collected...

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Detalhes bibliográficos
Publicado no:Mol Phys
Main Authors: Thompson, Matthew W., Gilmer, Justin B., Matsumoto, Ray A., Quach, Co D., Shamaprasad, Parashara, Yang, Alexander H., Iacovella, Christopher R., Cabe, Clare M, Cummings, Peter T.
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7576934/
https://ncbi.nlm.nih.gov/pubmed/33100401
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/00268976.2020.1742938
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