Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics /

Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics /

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 re...

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Bibliographic Details
Main Authors: Heinecke, Alexander (Author), Eckhardt, Wolfgang (Author), Horsch, Martin (Author), Bungartz, Hans-Joachim (Author)
Corporate Author: SpringerLink (Online service)
Format: Electronic eBook
Language:English
Published: Cham : Springer International Publishing : Imprint: Springer, 2015.
Series:SpringerBriefs in Computer Science,
Subjects:
Computer science.
Special purpose computers.
Computer system failures.
Computer simulation.
Fluid mechanics.
Computer Science.
System Performance and Evaluation.
Simulation and Modeling.
Engineering Fluid Dynamics.
Special Purpose and Application-Based Systems.
Online Access:Full Text via HEAL-Link
Table of Contents:
  • Introduction
  • Molecular Dynamics Simulation
  • Parallelization of MD Algorithms and Load Balancing
  • Efficient Implementation of the Force Calculation in MD Simulations
  • Experiments
  • Conclusion.

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