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Supercomputing for Molecular Dynamics Simulations

- Handling Multi-Trillion Particles in Nanofluidics

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This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms.

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  • Sprog:
  • Engelsk
  • ISBN:
  • 9783319171470
  • Indbinding:
  • Paperback
  • Sideantal:
  • 76
  • Udgivet:
  • 31. marts 2015
  • Udgave:
  • 2015
  • Størrelse:
  • 235x155x5 mm.
  • Vægt:
  • 1635 g.
  • 8-11 hverdage.
  • 7. december 2024
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This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms.

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