Accelerating multiscale modelling of fluids with on-the-fly Gaussian process regression

We present a scheme for accelerating hybrid continuum-atomistic models in multiscale fluidic systems by using Gaussian process regression as a surrogate model for computationally expensive molecular dynamics simulations. Using Gaussian process regression, we are able to accurately predict atomic-sca...

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Detalles Bibliográficos
Autores principales: Stephenson, David, Kermode, James R., Lockerby, Duncan A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2018
Materias:
Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6404643/
https://www.ncbi.nlm.nih.gov/pubmed/30930707
http://dx.doi.org/10.1007/s10404-018-2164-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6404643/
https://www.ncbi.nlm.nih.gov/pubmed/30930707
http://dx.doi.org/10.1007/s10404-018-2164-z

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