The LAMMPS software simulates classical molecular dynamics, with a focus on materials modeling.

lammps.org
LAMMPS homepage screenshot

About LAMMPS

LAMMPS is a classical molecular dynamics code with a focus on materials modeling. Its name stands for Large-scale Atomic/Molecular Massively Parallel Simulator. The homepage describes it as software that is downloaded and run, either on a single processor or in parallel, rather than as a hosted web application. It includes potentials for solid-state materials such as metals and semiconductors, and for soft matter such as biomolecules and polymers. It can also model coarse-grained or mesoscopic systems, and the homepage notes it can be used as a parallel particle simulator at the atomic, meso, or continuum scale.

The homepage states that LAMMPS is distributed as open source software under the GPLv2 and that all development takes place on GitHub. Pricing is not stated on the homepage.

Key features

  • Classical molecular dynamics simulation with a focus on materials modeling
  • Potentials for solid-state materials such as metals and semiconductors
  • Potentials for soft matter including biomolecules and polymers
  • Coarse-grained and mesoscopic system modeling
  • Parallel runs using message passing and spatial decomposition of the domain
  • Accelerated versions of many models for CPUs and GPUs
Best for: Researchers and students who run molecular dynamics simulations, particularly for materials modeling.
Good for
  • Distributed as open source software under the GPLv2, according to the homepage
  • Can run on single processors or in parallel using message-passing techniques
  • Designed to be easy to modify or extend with new functionality

LAMMPS at a glance

Website
lammps.org
Type
Website
Pricing
Not confirmed. Check the site
Platforms
Web
Open source
Not stated
Language
English
Last checked
Oct 6, 2026 · Online when checked
Listed
Oct 5, 2026

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LAMMPS FAQ

Under what license is LAMMPS distributed?
The homepage states that LAMMPS is distributed as open source software under the terms of the GPLv2.
Where is LAMMPS development carried out?
The homepage states that all development is done on GitHub.
How can the current version be obtained?
The homepage links to a download for the current version of the software.
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