57 search results - page 2 / 12 » Parallel algorithms for molecular dynamics with induction fo... |
JCPHY
2011
12 years 8 months ago
2011
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...
IPPS
2006
IEEE
13 years 11 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...
IRREGULAR
1998
Springer
13 years 10 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 ...
SC
2000
ACM
13 years 10 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...