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ISCAPDCS
2008
13 years 8 months ago
Accelerating Molecular Dynamics Simulations with GPUs
Molecular dynamics simulations are known to run for many days or weeks before completion. In this paper we explore the use of GPUs to accelerate a LennardJones-based molecular dyn...
John Paul Walters, Vidyananth Balu, Vipin Chaudhar...
FPL
2009
Springer
162views Hardware» more  FPL 2009»
13 years 10 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
FPL
2006
Springer
123views Hardware» more  FPL 2006»
13 years 11 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
JCC
2006
103views more  JCC 2006»
13 years 7 months ago
Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics
: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
Oliver F. Lange, Lars V. Schäfer, Helmut Grub...
FCCM
2006
IEEE
201views VLSI» more  FCCM 2006»
13 years 11 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...