LAMMPS

LAMMPS is an open-source software specialized for large-scale parallel computing in classical molecular dynamics (MD) simulations. Developed by Sandia National Laboratories, it supports a wide range of material systems, including nanomaterials, polymers, metals, semiconductors, and fluids. By utilizing MPI-based parallel computing and GPU acceleration, it enables efficient analysis of large-scale systems while offering a variety of potential functions and integration capabilities with external software. It also supports automation through a Python interface and hybrid simulations with first-principles calculations, making it widely used in research and development across materials science, chemistry, and the biomedical fields.

Information

Official site https://www.lammps.org/
Openness ★★★
Manual https://docs.lammps.org/Manual.html
Download https://www.lammps.org/download.html
License

GPL v2 or LGPL v2.1

https://docs.lammps.org/Intro_opensource.html

Availability

Windows, MacOS, Linux

Related Papers

A. P. Thompson, et al., “LAMMPS – a flexible simulation tool for particle-based materials modeling at the atomic, meso, and<span> continuum scales” [Comp Phys Comm, 271 (2022) 10817]. 

Related Sites

MateriApps: https://ma.issp.u-tokyo.ac.jp/app/596