Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy (Q311614)
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scientific article; zbMATH DE number 6626823
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| English | Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy |
scientific article; zbMATH DE number 6626823 |
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Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy (English)
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13 September 2016
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Poisson-Boltzmann equation
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boundary integral equation
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automatic surface meshing
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solvation free energy
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fast multipole methods
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parallelization
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Cilk Plus
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0.7740387916564941
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0.7737952470779419
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0.752914547920227
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0.735907793045044
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