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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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2018
2018
A three dimensional adaptive multiscale method for crack growth in Silicon
2017
2017
Scalable In situ Analysis of Molecular Dynamics Simulations
Analysis of scientific simulation data enables scientists to glean insight from simulations. In situ analysis, which can be… 
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… 
2016
2016
Design of open-porous materials for high-temperature fuel cells
Microstructure is one of the major factors influencing material properties. It is especially important for open-porous materials… 
2016
2016
GPU-Accelerated Molecular Dynamics: Energy Consumption and Performance
Energy consumption of hybrid systems is an actual problem of modern high-performance computing. The trade-off between power… 
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… 
2015
2015
Molecular Dynamics simulations of thermal conductivity in composites consisting of aluminum oxide nanoparticles surrounded by polyethylene oxide
Molecular Dynamics (MD) simulations of heat flow in the composite systems consisting of aluminum oxide nanostructures surrounded… 
2013
2013
Predictive and Distributed Routing Balancing, an Application-Aware Approach
2012
2012
Analysis of wall effect on the process of diffusion of nanoparticles in a microchannel
In this preliminary work we introduce a new method for verification of the no-slip boundary condition on the liquid-solid… 
2011
2011
Getting to know the LLVM compiler
Fast compile time, reducing execution time of program, providing useful error message and reducing size of file generated are the… 
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