255 search results - page 1 / 51 » Scalable Molecular Dynamics for Large Biomolecular Systems |
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...
PPOPP
2006
ACM
13 years 11 months ago
2006
ACM
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
ICS
2009
Tsinghua U.
14 years 1 days ago
2009
Tsinghua U.
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
IPPS
2008
IEEE
13 years 11 months ago
2008
IEEE
NAMD† is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybrid spatial and force decomposition, a technique now used by most scalable pr...
FGCS
2006
13 years 5 months ago
2006
Some of the most challenging applications to parallelize scalably are the ones that present a relatively small amount of computation per iteration. Multiple interacting performanc...