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Large-scale Atomic/Molecular Massively Parallel Simulator

Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a molecular dynamics program from Sandia National Laboratories. LAMMPS makes… 
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C++General-purpose computing on graphics processing unitsList of free and open-source software packagesMegabyte

Papers overview

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2016
2016
Bounded amplification of diffusioosmosis utilizing hydrophobicity
This study is to investigate if and how much surface hydrophobicity can augment diffusioosmotic velocity. Molecular dynamics… 
2015
2015
Implementation of Shifted Periodic Boundary Conditions in the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Software
Abstract : To observe screw dislocation motion on an infinite glide plane in atomistic simulations, shifted periodic boundary… 
2013
2013
Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Simulations of the Molecular Crystal alphaRDX
Abstract : This reference manual provides instructions for determining atomistic material properties important for modeling… 
Highly Cited
2012
Highly Cited
2012
FusedOS: Fusing LWK Performance with FWK Functionality in a Heterogeneous Environment
Traditionally, there have been two approaches to providing an operating environment for high performance computing (HPC). A Full… 
Highly Cited
2011
Highly Cited
2011
Pseudo-random number generation for Brownian Dynamics and Dissipative Particle Dynamics simulations on GPU devices
Highly Cited
2011
Highly Cited
2011
Phonon dispersion measured directly from molecular dynamics simulations
Highly Cited
2009
Highly Cited
2009
Implementation of Green's function molecular dynamics: An extension to LAMMPS
Highly Cited
2009
Highly Cited
2009
Highly accelerated simulations of glassy dynamics using GPUs: Caveats on limited floating-point precision
Review
2008
Review
2008
Overview of the IBM Blue Gene/P Project
IBM announced the Blue Gene/Pe system as the leading offering in its massively parallel Blue Genet supercomputer line, succeeding… 
Highly Cited
2004
Highly Cited
2004
Industrial property prediction using Towhee and LAMMPS
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