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Data-driven molecular modeling with the generalized Langevin equation
The complexity of molecular dynamics simulations necessitates dimension reduction and coarse-graining techniques to enable tractable computation. The generalized Langevin equation (GLE) describes coarse-grained dynamics in reduced dimensions. In spite of playing a crucial role in non-equilibrium dyn...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | J Comput Phys |
|---|---|
| Prif Awduron: | , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
2020
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7494205/ https://ncbi.nlm.nih.gov/pubmed/32952214 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jcp.2020.109633 |
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