739 search results - page 2 / 148 » Parallel Implementation of a Molecular Dynamics Simulation P... |
CPHYSICS
2008
13 years 5 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...
ICPP
2006
IEEE
13 years 11 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...
PC
2012
12 years 15 days ago
2012
This paper describes a safe and efficient combination of the object-based message-driven execution and shared array parallel programming models. In particular, we demonstrate how ...
IRREGULAR
1998
Springer
13 years 9 months ago
1998
Springer
To achieve scalable parallel performance in Molecular Dynamics Simulation, we have modeled and implemented several dynamic spatial domain decomposition algorithms. The modeling is ...
HIPC
2007
Springer
13 years 11 months ago
2007
Springer
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment comes from the requirement for large system simula...