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BICOB
2009
Springer
14 years 5 months ago
Towards Large-Scale Molecular Dynamics Simulations on Graphics Processors
Atomistic molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide a view of chemical systems and processes that is not obtainable thr...
Joseph E. Davis, Adnan Ozsoy, Sandeep Patel, Miche...
ASAP
2009
IEEE
142views Hardware» more  ASAP 2009»
14 years 8 months ago
Parallel Discrete Event Simulation of Molecular Dynamics Through Event-Based Decomposition
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
Martin C. Herbordt, Md. Ashfaquzzaman Khan, Tony D...
IPPS
1999
IEEE
14 years 3 months ago
Large Scale Simulation of Parallel Molecular Dynamics
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
Pierre-Eric Bernard, Thierry Gautier, Denis Trystr...
PPOPP
2006
ACM
14 years 4 months ago
Performance characterization of molecular dynamics techniques for biomolecular simulations
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
FPL
2009
Springer
162views Hardware» more  FPL 2009»
14 years 2 months ago
Efficient particle-pair filtering for acceleration of molecular dynamics simulation
The acceleration of molecular dynamics (MD) simulations using high performance reconfigurable computing (HPRC) has been much studied. Given the intense competition from multicore...
Matt Chiu, Martin C. Herbordt