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» Accelerating Molecular Dynamics Simulations with GPUs
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FPL
2005
Springer
144views Hardware» more  FPL 2005»
13 years 10 months ago
Accelerating Molecular Dynamics Simulations With Configurable Circuits
Molecular Dynamics (MD) is of central importance to computational chemistry. Here we show that MD can be implemented efficiently on a COTS FPGA board, and that speedups from ¿½...
Yongfeng Gu, Tom Van Court, Martin C. Herbordt
FPL
2006
Springer
123views Hardware» more  FPL 2006»
13 years 8 months ago
Improved Interpolation and System Integration for FPGA-Based Molecular Dynamics Simulations
: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Here we describe a new non-bonded force computation pipeline implemented on a 2...
Yongfeng Gu, Tom Van Court, Martin C. Herbordt
FPL
2008
Springer
180views Hardware» more  FPL 2008»
13 years 6 months ago
Compiled hardware acceleration of Molecular Dynamics code
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...
Jason R. Villarreal, Walid A. Najjar
IPPS
2010
IEEE
13 years 2 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...
FCCM
2007
IEEE
169views VLSI» more  FCCM 2007»
13 years 11 months ago
FPGA-Based Multigrid Computation for Molecular Dynamics Simulations
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...
Yongfeng Gu, Martin C. Herbordt