LAMMPS Molecular Dynamics Simulator

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LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It is an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) 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. Many of its models have versions that provide accelerated performance on CPUs and GPUs. The code is designed to be easy to modify or extend with new functionality.

LAMMPS is distributed as open source software under the terms of the GPLv2. The current version can be downloaded here; all development is done on GitHub.


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66,700+ Citations 3,000+ GitHub stars 675+ Contributors 52,800+ Commits 1,185,000+ Lines of code 30 Sep 2026 Latest stable release 30 Sep 2026 Latest feature release