Sciweavers

739 search results - page 3 / 148
» Parallel Implementation of a Molecular Dynamics Simulation P...
Sort
View
CPHYSICS
2008
97views more  CPHYSICS 2008»
13 years 5 months ago
Parallel algorithms for molecular dynamics with induction forces
We examine parallel algorithms for molecular dynamics simulations involving long-range induction interactions. The algorithms are tested by performing molecular dynamics simulatio...
Jianhui Li, Zhongwu Zhou, Richard J. Sadus
CPHYSICS
2008
161views more  CPHYSICS 2008»
13 years 5 months ago
Implementing peridynamics within a molecular dynamics code
Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties. In this context, nonlocal means that continuum points separated by a finite ...
Michael L. Parks, Richard B. Lehoucq, Steven J. Pl...
SC
1995
ACM
13 years 9 months ago
I/O Limitations in Parallel Molecular Dynamics
Abstract We discuss data production rates and their impact on the performance of scientific applications using parallel computers. On one hand, too high rates of data production c...
Terry W. Clark, L. Ridgway Scott, Stanislaw Wloked...
SCI
1999
Springer
13 years 10 months ago
Shared Memory Parallelization of the GROMOS96 Molecular Dynamics Code
This paper describes the parallelization of a commercial molecular dynamics simulation code, GROMOS96, on a SCI (Scalable Coherent Interface) interconnected PC cluster. The underly...
Marcus Dormanns
BMCBI
2010
175views more  BMCBI 2010»
13 years 5 months ago
Towards high performance computing for molecular structure prediction using IBM Cell Broadband Engine - an implementation perspe
Background: RNA structure prediction problem is a computationally complex task, especially with pseudo-knots. The problem is well-studied in existing literature and predominantly ...
S. P. T. Krishnan, Sim Sze Liang, Bharadwaj Veerav...