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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發表在: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.
格式: Artigo
語言:Inglês
出版: 2020
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Article
在線閱讀: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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