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ERSA
2004
130views Hardware» more  ERSA 2004»
13 years 9 months ago
Computing Lennard-Jones Potentials and Forces with Reconfigurable Hardware
Abstract-- Technological advances have made FPGAs an attractive platform for the acceleration of complex scientific applications. These applications demand high performance and hig...
Ronald Scrofano, Viktor K. Prasanna
WSC
1998
13 years 8 months ago
Parallel Implementation of a Molecular Dynamics Simulation Program
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...
Alan Mink, Christophe Bailly
ICCABS
2011
12 years 11 months ago
Towards accelerating molecular modeling via multi-scale approximation on a GPU
—Research efforts to analyze biomolecular properties contribute towards our understanding of biomolecular function. Calculating non-bonded forces (or in our case, electrostatic s...
Mayank Daga, Wu-chun Feng, Thomas Scogland
ICPPW
2006
IEEE
14 years 1 months ago
Dynamic Algorithm Selection in Parallel GAMESS Calculations
Applications augmented with adaptive capabilities are becoming common in parallel computing environments which share resources such as main memory, network, or disk I/O. For large...
Nurzhan Ustemirov, Masha Sosonkina, Mark S. Gordon...
IPPS
2007
IEEE
14 years 1 months ago
A Reconfigurable Load Balancing Architecture for Molecular Dynamics
This paper proposes a novel architecture supporting dynamic load balancing on an FPGA for a Molecular Dynamics algorithm. Load balancing is primarily achieved through the use of s...
Jonathan Phillips, Matthew Areno, Chris Rogers, Ar...