10 search results - page 2 / 2 » Massively parallel molecular dynamics simulations of lysozym... |
ICCD
2008
IEEE
14 years 4 months ago
2008
IEEE
—One of the major design verification challenges in the development of Anton, a massively parallel special-purpose machine for molecular dynamics, was to provide evidence that co...
IPPS
2010
IEEE
13 years 5 months ago
2010
IEEE
The advent of general purpose graphics processing units (GPGPU's) brings about a whole new platform for running numerically intensive applications at high speeds. Their multi-...
SP
2002
IEEE
13 years 6 months ago
2002
IEEE
A suite of scalable atomistic simulation programs has been developed for materials research based on space-time multiresolution algorithms. Design and analysis of parallel algorit...
CPHYSICS
2006
13 years 7 months ago
2006
State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
PC
2008
13 years 7 months ago
2008
We present a distributed scheme for initialization from atomic wavefunctions in ab initio molecular dynamics simulations. Good initial guesses for approximate wavefunctions are ve...