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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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Dades bibliogràfiques
Publicat a:Philos Trans A Math Phys Eng Sci
Autors principals: Wan, Shunzhou, Sinclair, Robert C., Coveney, Peter V.
Format: Artigo
Idioma:Inglês
Publicat: The Royal Society Publishing 2021
Matèries:
Accés en línia: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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