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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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Detalles Bibliográficos
Publicado en:J Chem Phys
Autores principales: Simmonett, Andrew C., Brooks, Bernard R.
Formato: Artigo
Lenguaje:Inglês
Publicado: AIP Publishing LLC 2021
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Acceso en línea: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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