10 search results - page 2 / 2 » Massively parallel molecular dynamics simulations of lysozym... |
102
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ICCD
2008
IEEE
15 years 8 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...
125
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IPPS
2010
IEEE
14 years 9 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
14 years 11 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...
120
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CPHYSICS
2006
14 years 11 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
14 years 11 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...