16 search results - page 1 / 4 » A scalable parallel algorithm for large-scale reactive force... |
CPHYSICS
2008
13 years 4 months ago
2008
A scalable parallel algorithm has been designed to perform multimillion-atom molecular dynamics (MD) simulations, in which first principlesbased reactive force fields (ReaxFF) des...
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...
IPPS
1999
IEEE
13 years 8 months ago
1999
IEEE
Simulations of particles in fluid flows are of great interest to numerous industries using sedimentation, fluidization, lubricated transport, and hydraulic fracturing of hydrocarb...
ESCIENCE
2007
IEEE
13 years 8 months ago
2007
IEEE
Data sources, storage, computing resources and services are entities on Grids that require mechanisms for publication and lookup. A discovery service relies on efficient lookup to...
ICPP
2006
IEEE
13 years 10 months ago
2006
IEEE
— This paper presents Salsa, a novel, decentralized and asynchronous realization of the “replica exchange” algorithm for simulating the structure, function, folding, and dyna...