739 search results - page 4 / 148 » Parallel Implementation of a Molecular Dynamics Simulation P... |
ICA3PP
2005
Springer
14 years 1 months ago
2005
Springer
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
ICS
2009
Tsinghua U.
14 years 2 months 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...
PPOPP
2006
ACM
14 years 1 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...
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...
FPL
2008
Springer
13 years 9 months ago
2008
Springer
The objective of Molecular Dynamics (MD) simulations is to determine the shape of a molecule in a given biomolecular environment. These simulations are very demanding computationa...