25 search results - page 1 / 5 » Accelerating Molecular Dynamics Simulations with GPUs |
ISCAPDCS
2008
13 years 6 months ago
2008
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...
FPL
2009
Springer
13 years 7 months ago
2009
Springer
The acceleration of molecular dynamics (MD) simulations using high performance reconfigurable computing (HPRC) has been much studied. Given the intense competition from multicore...
HIPC
2007
Springer
13 years 10 months ago
2007
Springer
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment comes from the requirement for large system simula...
BICOB
2009
Springer
13 years 11 months ago
2009
Springer
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...
JCPHY
2011
12 years 7 months ago
2011
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...