Center for Integrated Nanotechnologies

Helping you understand, create, and characterize nanomaterials

Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS)

A parallel molecular dynamics code for classical atomistic and coarse grained level simulations

LAMMPS is a classical molecular dynamics code with a focus on materials modeling.


Capabilities include:

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

Mark Stevens
Amalie Frischknecht
Gary Grest 

LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales.
Thompson, A. P.; Aktulga, H. M.; Berger, R.; Bolintineanu, D. S.; Brown, W. M.; Crozier, P. S.; in 't Veld, P. J.; Kohlmeyer, A.; Moore, S. G.; Nguyen, T. D.; Shan, R.; Stevens, M. J.; Tranchida, J.; Trott, C.; Plimpton, S. J. Computer Physics Communications 2022, 271, 108171.

Back to top