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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2018
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| Materias: | |
| 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 |