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Sparsification of long range force networks for molecular dynamics simulations

Atomic interactions in solid materials are described using network theory. The tools of network theory focus on understanding the properties of a system based upon the underlying interactions which govern their dynamics. While the full atomistic network is dense, we apply a spectral sparsification t...

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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Woerner, Peter, Nair, Aditya G., Taira, Kunihiko, Oates, William S.
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6461233/
https://ncbi.nlm.nih.gov/pubmed/30978200
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0213262
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