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Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations
The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the k...
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| Published in: | J Chem Phys |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
AIP Publishing LLC
2016
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4808071/ https://ncbi.nlm.nih.gov/pubmed/27004867 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4943868 |
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