SPPARKS Kinetic Monte Carlo Simulator

SPPARKS Kinetic Monte Carlo Simulator
http://spparks.sandia.gov/

SPPARKS is a parallel Monte Carlo code for on-lattice and off-lattice models that includes algorithms for kinetic Monte Carlo (KMC), rejection kinetic Monte Carlo (rKMC), and Metropolis Monte Carlo (MMC). It implements several KMC solvers whose serial computational complexity ranges from O(N) to O(NlogN) to O(1) in the number of events N owned by a processor. In a generic sense the solvers catalog a list of "events", each with an associated probability, choose a single event to perform, and advance time by the correct amount. Events may be chosen individually at random, or by sweeping over sites in a more ordered fashion.
Applications that are packaged with SPPARKS, or which a user adds to the code, define sites and events and probabilities, as well as how the execution of an event changes the state of the model.
SPPARKS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.
SPPARKS is distributed as an open source code under the terms of the GPL , or sometimes by request under the terms of the GNU Lesser General Public License (LGPL) . The current version can be downloaded here .
SPPARKS was developed at Sandia National Laboratories , a US Department of Energy  laboratory. The authors are Steve Plimpton  and Aidan Thompson and Alex Slepoy who can be contacted at sjplimp at sandia.gov, athomps at sandia.gov, and alexander.slepoy at nnsa.doe.gov, respectively. Funding for SPPARKS development has come from the DOE and is acknowledged here, along with the contributions of others.
The SPPARKS WWW site is hosted by Sandia, which has this Privacy and Security statement.