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.
https://www.lammps.org/index.html
Contacts:
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. doi.org/10.1038/ncomms3644