LAMMPS Molecular Dynamics Simulator

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LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

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. Periodic releases are 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.

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Recent LAMMPS News

LAMMPS Highlight

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

This is work by Sergey Zybin (zybin at and collaborators at Caltech to model shock-induced instabilities in explosive materials which have heterogeneous features, such as defects or interfaces, using the ReaxFF force field.

The figure shows shock loading of PBX in a 3.6M atom model with a saw-tooth interface between RDX and its polymer binder. The color represents slip which is highest at the interface.

This paper has further details:

Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials, Qi An, Sergey V. Zybin, William A. Goddard III, Andres Jaramillo-Botero, Mario Blanco, and Sheng-Nian Luo, Phys Rev B, 84, 220101 (2011). (abstract)