592 search results - page 4 / 119 » Large Scale Simulation of Parallel Molecular Dynamics |
HIPC
2007
Springer
14 years 2 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...
FGCS
2006
13 years 7 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...
ISCA
2007
IEEE
14 years 2 months ago
2007
IEEE
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
HPCC
2005
Springer
14 years 1 months ago
2005
Springer
In this paper a new and powerful computer simulation capability for the characterization of carbonaceous nanoparticle assemblies across multiple, connected scales, starting from th...
JCC
2010
13 years 6 months ago
2010
Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a...