Overview:

LAMMPS is a flexible parallel molecular dynamics code.  It has potentials for soft materials (biomolecules, polymers), solid-state materials (metals, semiconductors) as well as coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

Core Developers: Steve Plimpton, Paul Crozier, and Aiden Thompson (Sandia National Labs)

Additional Contributors: Please see the full list here.

Getting Started:

• LAMMPS Webpage
  

• LAMMPS Manual is available here.

• Steve Plimpton provided a lecture on molecular dynamics and a tutorial on LAMMPS at the 2006 CNF Fall Workshop.  Lecture notes and info on the tutorial are available here.  You can view his talk "Classical Molecular Dynamics and the Nanoscale World" from the workshop on the CNF MediaSite. [Access Video]
  

Relevant Research Articles and Webpages:

Core Papers Describing the Code:

•  "Fast Parallel Algorithms for Short-Range Molecular Dynamics", S. J. Plimpton, J. Comp. Phys., 117, 1-19 (1995).
• "Substructured molecular dynamics using multibody dynamics", R. M. Mukherjee, P. S. Crozier, S. J. Plimpton, K. S. Anderson, Intl J of Non-Linear Mechanics, 43, 1040-1055 (2008).

http://lammps.sandia.gov/papers.html

Questions, Comments...

Please contact:

Derek Stewart, Ph.D.
stewart (at) cnf.cornell.edu
Cornell Nanoscale Facility