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Model reduction of rigid-body molecular dynamics via generalized multipole potentials
Motivated by the challenges of uncertainty quantification for coarse-grained (CG) molecular dynamics, we investigate the role of perturbation theory in model reduction of classical systems. In particular, we consider the task of coarse-graining rigid bodies in the context of generalized multipole po...
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| Publicado no: | Phys Rev E |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8020260/ https://ncbi.nlm.nih.gov/pubmed/31962507 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1103/PhysRevE.100.063302 |
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