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Inferring effective forces for Langevin dynamics using Gaussian processes
Effective forces derived from experimental or in silico molecular dynamics time traces are critical in developing reduced and computationally efficient descriptions of otherwise complex dynamical problems. This helps motivate why it is important to develop methods to efficiently learn effective forc...
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| Udgivet i: | J Chem Phys |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7096241/ https://ncbi.nlm.nih.gov/pubmed/32241120 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5144523 |
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