LAMMPS WWW Site

LAMMPS Authors

The core group of LAMMPS developers is at Sandia National Labs. They are Steve Plimpton, Paul Crozier, and Aidan Thompson and can be contacted via email: sjplimp, pscrozi, athomps at sandia.gov.

Here are various folks who have made significant contributions to features in LAMMPS. The most recent contributions are at the top of the list.

lmp2vmd tool Axel Kohlmeyer (U Penn)
compute group/group Naveen Michaud-Agrawal (Johns Hopkins U)
CG-CMM user package for coarse-graining Axel Kohlmeyer (U Penn)
cosine/delta angle potential Axel Kohlmeyer (U Penn)
VIM editor add-ons for LAMMPS input scripts Gerolf Ziegenhain
pair lubricate Randy Schunk (Sandia)
compute ackland/atom Gerolf Zeigenhain
kspace_style ewald/n, pair_style lj/coul, pair_style buck/coul Pieter in 't Veld (Sandia)
AI-REBO bond-order potential Ase Henry (MIT)
making LAMMPS a true "object" that can be instantiated multiple times, e.g. as a library Ben FrantzDale (RPI)
pymol_asphere viz tool Mike Brown (Sandia)
NEMD SLLOD integration Pieter in 't Veld (Sandia)
tensile and shear deformations Pieter in 't Veld (Sandia)
GayBerne potential Mike Brown (Sandia)
ellipsoidal particles Mike Brown (Sandia)
colloid potentials Pieter in 't Veld (Sandia)
fix heat Paul Crozier and Ed Webb (Sandia)
neighbor multi and communicate multi Pieter in 't Veld (Sandia)
MATLAB post-processing scripts Arun Subramaniyan (Purdue)
triclinic (non-orthogonal) simulation domains Pieter in 't Veld (Sandia)
thermo_extract tool Vikas Varshney (Wright Patterson AFB)
fix ave/time and fix ave/spatial Pieter in 't Veld (Sandia)
MEAM potential Greg Wagner (Sandia)
optimized pair potentials for lj/cut, charmm/long, eam, morse James Fischer (High Performance Technologies), David Richie and Vincent Natoli (Stone Ridge Technologies)
fix wall/lj126 Mark Stevens (Sandia)
Stillinger-Weber and Tersoff potentials Aidan Thompson and Xiaowang Zhou (Sandia)
region prism Pieter in 't Veld (Sandia)
LJ tail corrections for energy/pressure Paul Crozier (Sandia)
fix momentum and recenter Naveen Michaud-Agrawal (Johns Hopkins U)
multi-letter variable names Naveen Michaud-Agrawal (Johns Hopkins U)
OPLS dihedral potential Mark Stevens (Sandia)
POEMS coupled rigid body integrator Rudranarayan Mukherjee (RPI)
faster pair hybrid potential James Fischer (High Performance Technologies, Inc), Vincent Natoli and David Richie (Stone Ridge Technology)
breakable bond quartic potential Chris Lorenz and Mark Stevens (Sandia)
DCD and XTC dump styles Naveen Michaud-Agrawal (Johns Hopkins U)
grain boundary orientation fix Koenraad Janssens and David Olmsted (Sandia)
lj/smooth pair potential Craig Maloney (UCSB)
radius-of-gyration spring fix Naveen Michaud-Agrawal (Johns Hopkins U) and Paul Crozier (Sandia)
self spring fix Naveen Michaud-Agrawal (Johns Hopkins U)
EAM CoAl and AlCu potentials Kwang-Reoul Lee (KIST, Korea)
cosine/squared angle potential Naveen Michaud-Agrawal (Johns Hopkins U)
helix dihedral potential Naveen Michaud-Agrawal (Johns Hopkins U) and Mark Stevens (Sandia)
Finnis/Sinclair EAM Tim Lau (MIT)
dissipative particle dynamics (DPD) potentials Kurt Smith (U Pitt) and Frank van Swol (Sandia)
TIP4P potential (4-site water) Ahmed Ismail and Amalie Frischknecht (Sandia)
uniaxial strain fix Carsten Svaneborg (Max Planck Institute)
thermodynamics enhanced by fix quantities Aidan Thompson (Sandia)
compressed dump files Erik Luijten (U Illinois)
cylindrical indenter fix Ravi Agrawal (Northwestern U)
electric field fix Christina Payne (Vanderbilt U)
AMBER <-> LAMMPS tool Keir Novik (Univ College London) and Vikas Varshney (U Akron)
CHARMM <-> LAMMPS tool Pieter in 't Veld and Paul Crozier (Sandia)
Morse bond potential Jeff Greathouse (Sandia)
radial distribution functions Paul Crozier & Jeff Greathouse (Sandia)
force tables for long-range Coulombics Paul Crozier (Sandia)
targeted molecular dynamics (TMD) Paul Crozier (Sandia) and Christian Burisch (Bochum University, Germany)
FFT support for SGI SCLS (Altix) Jim Shepherd (Ga Tech)
lmp2cfg and lmp2traj tools Ara Kooser, Jeff Greathouse, Andrey Kalinichev (Sandia)
parallel tempering Mark Sears (Sandia)
embedded atom method (EAM) potential Stephen Foiles (Sandia)
multi-harmonic dihedral potential Mathias Putz (Sandia)
granular force fields and BC Leo Silbert & Gary Grest (Sandia)
2d Ewald/PPPM Paul Crozier (Sandia)
CHARMM force fields Paul Crozier (Sandia)
msi2lmp tool Steve Lustig (Dupont), Mike Peachey & John Carpenter (Cray)
HTFN energy minimizer Todd Plantenga (Sandia)
class 2 force fields Eric Simon (Cray)
NVT/NPT integrators Mark Stevens (Sandia)
rRESPA Mark Stevens & Paul Crozier (Sandia)
Ewald and PPPM solvers Roy Pollock (LLNL)

As discussed on the history page, LAMMPS originated as a cooperative project between DOE labs and industrial partners. Folks involved in the design and testing of the original LAMMPS were