739 search results - page 1 / 148 » Parallel Implementation of a Molecular Dynamics Simulation P... |
WSC
1998
13 years 5 months ago
1998
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...
IPPS
1999
IEEE
13 years 8 months ago
1999
IEEE
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
SC
2000
ACM
13 years 9 months ago
2000
ACM
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecular systems, implemented in the production-quality molecular dynamics program N...
IPPS
2006
IEEE
13 years 10 months ago
2006
IEEE
The Replica Exchange method is a popular approach for studying the folding thermodynamics of small to modest size proteins in explicit solvent, since it is easily parallelized. Ho...
ASAP
2009
IEEE
14 years 1 months ago
2009
IEEE
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...