LAMMPS Molecular Dynamics Simulator

lamp: a device that generates light, heat, or therapeutic radiation; something that illumines the mind or soul -- www.dictionary.com

This is the home page for the classical molecular dynamics code LAMMPS, an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. The current version of LAMMPS is 7 Jul 2009.

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LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.

LAMMPS is distributed as an open source code under the terms of the GPL. The current version can be downloaded here. Links are also included to older F90/F77 versions. The last major release is also available on SourceForge.

LAMMPS is distributed by Sandia National Laboratories, a US Department of Energy laboratory. The main authors of LAMMPS are listed on this page along with contact info and other contributors. Funding for LAMMPS development has come primarily from DOE (OASCR, OBER, ASCI, LDRD, Genomes-to-Life) and is acknowledged here.


Recent LAMMPS News


LAMMPS Highlight

(see the Pictures and Movies pages for more examples of LAMMPS calculations)

This is work by Matt Lane, Gary Grest, Mike Chandross, and Mark Stevens (all at Sandia) and Chris Lorenz (King's College, London). They studied the interaction of water with self-assembled monolayers (SAMs). Investigations included water penetration of damaged SAMs and water diffusion properties in nanoconfinement. The first snapshot shows the effects of water on SAM coatings with various sized regions of damage. The second shows only the water during penetration. The third snapshot shows water in nanoconfinement between two planar SAMs.

These papers have further details:

Water in Nanoconfinement between Hydrophilic Self-Assembled Monolayers, J. M. D. Lane, M. Chandross, M. J. Stevens, G. S. Grest, Langmuir, 24, 5209-5212 (2008). (abstract)

Water Penetration of Damaged Self-Assembled Monolayers, J. M. D. Lane, M. Chandross, C. D. Lorenz, M. J. Stevens, G. S. Grest, Langmuir, 24, 5734-5739 (2008). (abstract)