@inproceedings{22ccf9e915c34fd0b57e17f70b2040e0,
title = "Accelerating Molecular Dynamics Simulations with GPUs",
abstract = "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 Lennard-Jones-based molecular dynamics simulation of up to 27000 atoms. We demonstrate speedups that exceed 100x on commodity Nvidia GPUs and discuss the strategies that allow for such exceptional speedups. We show that traditional molecular dynamics simulations can be greatly improved from a runtime of over 1 day to 18 minutes.",
author = "Walters, \{John Paul\} and Vidyananth Balu and Vipin Chaudhary and David Kofke and Andrew Schultz",
note = "Publisher Copyright: Copyright {\textcopyright} 2008 by the International Society for Computers and Their Applications (ISCA). All rights reserved.; 21st International Conference on Parallel and Distributed Computing and Communication Systems, PDCCS 2008 ; Conference date: 24-09-2008 Through 26-09-2008",
year = "2008",
language = "English",
series = "21st ISCA International Conference on Parallel and Distributed Computing and Communication Systems, PDCCS 2008",
publisher = "International Society for Computers and Their Applications (ISCA)",
pages = "44--49",
editor = "Jacob, \{Joseph C.\} and Dimitrios Serpanos",
booktitle = "21st ISCA International Conference on Parallel and Distributed Computing and Communication Systems, PDCCS 2008",
address = "United States",
}