Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations (Q2374010): Difference between revisions
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scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations |
scientific article |
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Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations (English)
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14 December 2016
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fast Fourier transform (FFT)
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volumetric decomposition
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molecular dynamics (MD) simulation
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particle mesh Ewald (PME) calculation
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midpoint cell method
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hybrid (MPI+OpenMP) parallelization
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