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A compression strategy for particle mesh Ewald theory

Particle Mesh Ewald (PME) has become a standard method for treating long-range electrostatics in molecular simulations. Although the method has inferior asymptotic computational complexity to its linear scaling competitors, it remains enormously popular due to its high efficiency, which stems from t...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Simmonett, Andrew C., Brooks, Bernard R.
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7986272/
https://ncbi.nlm.nih.gov/pubmed/33557541
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0040966
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