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» Large Scale Simulation of Parallel Molecular Dynamics
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GI
2009
Springer
16 years 3 days ago
Massively-Parallel Simulation of Biochemical Systems
: Understanding biological evolution prompts for a detailed understanding of the realized phenotype. Biochemical and gene regulatory dynamics are a cornerstone for the physiology o...
Jens Ackermann, Paul Baecher, Thorsten Franzel, Mi...
211
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GRID
2004
Springer
16 years 26 days ago
High Performance Threaded Data Streaming for Large Scale Simulations
We have developed a threaded parallel data streaming approach using Logistical Networking (LN) to transfer multi-terabyte simulation data from computers at NERSC to our local anal...
Viraj Bhat, Scott Klasky, Scott Atchley, Micah Bec...
217
Voted
ANSS
2007
IEEE
15 years 11 months ago
MDL, A Domain-Specific Language for Molecular Dynamics
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...
Trevor M. Cickovski, Chris Sweet, Jesús A. ...
IPPS
2010
IEEE
15 years 5 months ago
Improving numerical reproducibility and stability in large-scale numerical simulations on GPUs
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-...
Michela Taufer, Omar Padron, Philip Saponaro, Sand...
APVIS
2011
14 years 7 months ago
Loose capacity-constrained representatives for the qualitative visual analysis in molecular dynamics
Molecular dynamics is a widely used simulation technique to investigate material properties and structural changes under external forces. The availability of more powerful cluster...
Steffen Frey, Thomas Schlömer, Sebastian Grot...