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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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Bibliografische gegevens
Gepubliceerd in:Philos Trans A Math Phys Eng Sci
Hoofdauteurs: Wan, Shunzhou, Sinclair, Robert C., Coveney, Peter V.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: The Royal Society Publishing 2021
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Online toegang: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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