72 search results - page 2 / 15 » MDLab: A molecular dynamics simulation prototyping environme... |
ANSS
2007
IEEE
13 years 9 months ago
2007
IEEE
Molecular Dynamics (MD) involves solving Newton's equations of motion for a molecular system and propagating the system by time-dependent updates of atomic positions and velo...
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 ...
FPL
2008
Springer
13 years 7 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...
ICRA
2006
IEEE
13 years 11 months ago
2006
IEEE
—This paper presents a molecular mechanics study using a molecular dynamics software (NAMD) for characterization of molecular elastic joints for bio nanorobotic prototyping. Simp...
HPCC
2005
Springer
13 years 11 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...