Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing event-driven molecular dynamics. Several basic ideas have been discussed in recent years, but to our knowledge no complete implementation has been published yet. In this paper we present a parallel event-driven algorithm including dynamic load-balancing, which can be easily implemented on any computer architecture. To simplify matters our explanations refer to a basic multi-particle system of hard spheres, but can be extended easily to a wide variety of possible models
Published under license in Journal of Physics: Conference Series.Recently, an alternative strategy f...
We examine parallel algorithms for molecular dynamics simulations involving long-range induction int...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
We propose and implement a priority queue suitable for use in event driven molecular dynamics simula...
AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on...
We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelize...
Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in compu...
Event-based models find frequent usage in fields such as computational physics and biology as they m...
Abstract—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an al...
We present in a unifying way the main components of three examples of asynchronous event-driven algo...
Molecular dynamics simulations require supercomputers. A specific class of supercomputers is that of...
HPC clusters have become ever more expensive, both in terms of capital cost and energy consumption -...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based ...
International audienceForce computations are one of the most time consuming part in performing Molec...
Published under license in Journal of Physics: Conference Series.Recently, an alternative strategy f...
We examine parallel algorithms for molecular dynamics simulations involving long-range induction int...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
We propose and implement a priority queue suitable for use in event driven molecular dynamics simula...
AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on...
We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelize...
Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in compu...
Event-based models find frequent usage in fields such as computational physics and biology as they m...
Abstract—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an al...
We present in a unifying way the main components of three examples of asynchronous event-driven algo...
Molecular dynamics simulations require supercomputers. A specific class of supercomputers is that of...
HPC clusters have become ever more expensive, both in terms of capital cost and energy consumption -...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based ...
International audienceForce computations are one of the most time consuming part in performing Molec...
Published under license in Journal of Physics: Conference Series.Recently, an alternative strategy f...
We examine parallel algorithms for molecular dynamics simulations involving long-range induction int...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...