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» Molecular Dynamics Simulations on Commodity GPUs with CUDA
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HIPC
2007
Springer
13 years 9 months ago
Molecular Dynamics Simulations on Commodity GPUs with CUDA
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...
Weiguo Liu, Bertil Schmidt, Gerrit Voss, Wolfgang ...
ISCAPDCS
2008
13 years 5 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...
BICOB
2009
Springer
13 years 10 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...
IPPS
2010
IEEE
13 years 1 months ago
Dynamic load balancing on single- and multi-GPU systems
The computational power provided by many-core graphics processing units (GPUs) has been exploited in many applications. The programming techniques currently employed on these GPUs...
Long Chen, Oreste Villa, Sriram Krishnamoorthy, Gu...
JCC
2010
105views more  JCC 2010»
13 years 2 months ago
PAPER - Accelerating parallel evaluations of ROCS
Abstract: Modern graphics processing units (GPUs) are flexibly programmable and have peak computational throughput significantly faster than conventional CPUs. Herein, we describ...
Imran S. Haque, Vijay S. Pande