Active maintenance of these web resources ceased in 2012 and they will not be updated. They are posted for archival purposes only.

New Messages Materials Studio
 Accelrys. Commercial multiscale package focused on structure, crystallization, surfaces/catalysis, soft materials
0 Cathy Rohrer 1/14/2008 2:15 PM
by Cathy Rohrer
New Messages DL_POLY Molecular Simulation Package
 W. Smith, STFC Daresbury Laboratory. Parallelised MD for ~1 million atoms free for academic use
0 Cathy Rohrer 1/8/2008 10:24 AM
by Cathy Rohrer
New Messages ReaxFF User Manual
 A. van Duin, Caltech. Bridge between quantum chemical and empirical force fields
0 Cathy Rohrer 11/27/2007 11:36 AM
by Cathy Rohrer
New Messages LAMMPS Molecular Dynamics Simulator
 Sandia National Labs. GNU General Public License parallelized MD
0 Cathy Rohrer 11/8/2007 3:10 PM
by Cathy Rohrer
New Messages Glotzilla
 The Glotzer Group. Free molecular dynamics and Monte Carlo framework
0 Adam Powell 11/7/2007 10:20 AM
by Adam Powell
New Messages Quasicontinuum
 E. Tadmor et al.. Mixed continuum and atomistic method, free version available
0 Cathy Rohrer 9/6/2007 9:49 PM
by Cathy Rohrer
New Messages CAMD Open Software project (CAMPOS)
 Center for Atomic-scale Materials Design, Institut for Fysik, DTU. Atomistic and ab initio software (GNU GPL)
0 Cathy Rohrer 2/7/2007 10:03 PM
by Cathy Rohrer
New Messages CCP5 Program Library
 Collaborative Computational Projects. Library of MD, Monte Carlo, Lattice Statics and Lattice Dynamics Codes
0 Cathy Rohrer 2/7/2007 9:56 PM
by Cathy Rohrer
New Messages DYNAMO and ParaDyn
 S. Plimpton, M. Daw, S. Foiles. Free embedded atom method (EAM) molecular dynamics
0 Cathy Rohrer 2/7/2007 9:45 PM
by Cathy Rohrer
New Messages General Utility Lattice Program (GULP)
 J.D. Gale. Lattice dynamics, free to academics
0 Cathy Rohrer 2/7/2007 9:43 PM
by Cathy Rohrer

5500 Corporate Drive Suite 750, Pittsburgh, PA 15237 USA (directions)
Telephone 800-759-4867 (U.S. and Canada)
724-776-9000 (elsewhere)
Fax 724-776-3770 ·Email