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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
Autores principales:	Wan, Shunzhou, Sinclair, Robert C., Coveney, Peter V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society Publishing 2021
Materias:	Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8059622/ https://www.ncbi.nlm.nih.gov/pubmed/33775140 http://dx.doi.org/10.1098/rsta.2020.0082

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