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...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Molecular physics. - 1993. - 118(2020), 9-10 vom: 21.
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| 1. Verfasser: |
Thompson, Matthew W
(VerfasserIn) |
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| Weitere Verfasser: |
Gilmer, Justin B,
Matsumoto, Ray A,
Quach, Co D,
Shamaprasad, Parashara,
Yang, Alexander H,
Iacovella, Christopher R,
Cabe, Clare M,
Cummings, Peter T |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2020
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| Zugriff auf das übergeordnete Werk: | Molecular physics
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| Schlagworte: | Journal Article
Monte Carlo simulation
molecular dynamics
open-source
reproducibility |
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