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Uncertainty quantification in classical molecular dynamics

Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering, life and medical science. In the last decade, the approach has begun to advance from being a computer-based means of r...

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Detalles Bibliográficos
Publicado en:Philos Trans A Math Phys Eng Sci
Main Authors: Wan, Shunzhou, Sinclair, Robert C., Coveney, Peter V.
Formato: Artigo
Idioma:Inglês
Publicado: The Royal Society Publishing 2021
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC8059622/
https://ncbi.nlm.nih.gov/pubmed/33775140
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2020.0082
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