Course Overview for Atomic Scale Simulation

CODES AND DOWNLOADS:

CLAMPS (CLAssical Many- Particle Simulator)
A general purpose code that performs Molecular Dynamics, Langevin Dynamics, Metropolis Monte Carlo, Polymer Reptation and Brownian Dynamics using configurations derived from classical Boltzmann distribution.
Details are on CLAMPS HomePage at Link above. ( Download Clamps from materials computation center pages)
Parallel RNG
SPRNG libraries initially created at NCSA to develop Parallel Random Number Generators. Now performed elsewhere, libraries can be found on many machines, e.g. NERSC.

qmcPACK
Based on MoleCU, applies various QMC methods to an arbitrary geometry of ions and given trial wavefunctions.

2D Lattice Monte Carlo Code
Your very own 2D Ising Model Monte Carlo Simulation code written in FORTRAN. Download, compile and have some fun while answering the questions. (You could even modify it for 3-D.)

JAVA-based 2D Lattice Monte Carlo Simulation (SOURCE CODE)
Link to this JAVA 2D Ising Model Monte Carlo Simulation have some fun and answer the questions. Just Java
Monte Carlo Based Simulated Annealing Program .
Link to Monte Carlo based functional minimization using analogy to cooling thermodynamic systems, like liquids.

2D Kinetic Monte Carlo Program .
Link to Kinetic Monte Carlo code for 2D binary alloy with a diffusing vacancy using the a Possion distribution for time and n-fold-way type algorithm for speed. A second code is available which is a modification of the first which incorporates ballistic jumps arising, for example, from radiation damage. Ballistic jumps can wipe out the low-temperature portion of the ordering phase loop.