I have collected a bunch of stand-alone (linux) tools that I have made for analysis of numerical computations in the field of condensed matter physics/chemistry. Please see more on: github.com/urpedersen/URPTools.
Molecular Dynamics Simulations in the browser
Click here (urp.dk/md) to open a web applications that lets you perform simulations of molecules using the browser
A versatile method for computing solid-liquid Gibbs free energy differences and contructing phase diagrams.
Thesis (no papers):
I have made a few videos and made them available under the Creative Commons "by" license, so feel free to use them. Videos are up-loaded to YouTube, please pay a visit to http://www.youtube.com/user/urpedersen.
The Laves MgZn2 crystal of the Wahnstrom binary Lennard-Jones mixture
Wahnstrom binary Lennard-Jones mixture in glassy phase.
Wahnstrom binary Lennard-Jones mixture in liquid phase.
Wahnstrom binary Lennard-Jones mixture in gas phase.
Scripts and Programs
xyz2gro: Bash/awk script for converting configurations from xyz format to gromacs format (*gro).
gro2xyz: Bash/awk script for converting configurations from gromacs format (*gro) to xyz format.
makeHexagonalGrid: Bash/awk script that prints a xyz formatted file with particles on a 2D hexagonal grid.
mc_lattice.tar.gz: mc_lattice - simulating a 2D lattice gas.
data2wav.tar.gz: data2wav - convert data stream into an audio file in the uncompressed PCM WAV format.