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FPL
2005
Springer
144views Hardware» more  FPL 2005»
14 years 27 days 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
2008
Springer
180views Hardware» more  FPL 2008»
13 years 9 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
FPL
2007
Springer
150views Hardware» more  FPL 2007»
13 years 11 months ago
Discrete Event Simulation of Molecular Dynamics with Configurable Logic
: Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretized ...
Josh Model, Martin C. Herbordt
FCCM
2007
IEEE
169views VLSI» more  FCCM 2007»
14 years 1 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
HPCS
2007
IEEE
14 years 1 months ago
Utilizing Averaged Configuations from Molecular Dynamics Simulation Trajectories
One of the challenges in the large-scale simulations required for many molecular systems (such as those of biological interested) is the recording, monitoring and visualization of...
Peter G. Kusalik, K. Gillis, J. Vatamanu