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» Reconfigurable Molecular Dynamics Simulator
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FCCM
2006
IEEE
201views VLSI» more  FCCM 2006»
13 years 8 months ago
Hardware/Software Approach to Molecular Dynamics on Reconfigurable Computers
With advances in reconfigurable hardware, especially field-programmable gate arrays (FPGAs), it has become possible to use reconfigurable hardware to accelerate complex applicatio...
Ronald Scrofano, Maya Gokhale, Frans Trouw, Viktor...
FCCM
2004
IEEE
143views VLSI» more  FCCM 2004»
13 years 8 months ago
Reconfigurable Molecular Dynamics Simulator
Current high-performance applications are typically implemented on large-scale general-purpose distributed or multiprocessing systems often based on commodity microprocessors. Fie...
Navid Azizi, Ian Kuon, Aaron Egier, Ahmad Darabiha...
CPHYSICS
2008
121views more  CPHYSICS 2008»
13 years 4 months ago
A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations
A scalable parallel algorithm has been designed to perform multimillion-atom molecular dynamics (MD) simulations, in which first principlesbased reactive force fields (ReaxFF) des...
Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, ...
HPCS
2007
IEEE
13 years 11 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