Here is Professor Andrea J. Liu's webpage. I work for her.

We are currently investigating the impact of order on jamming patterns. To that end, we numerically minimize the energies of systems of particles and analyze the systems' resulting properties, such as the bulk and shear moduli. The amount of order in a system is controlled by organizing the system into a polycrystal. We do this by first dividing the system into a number of Voronoi cells, rotating the particles within each Voronoi cell by some angle. Then using the Fast Inertial Relaxation Engine algorithm, we minimize the energy for the particles by considering short-range, repulsive, harmonic forces between particles. We also specify periodic boundary conditions, to simulate the interior bulk of a polycrystal.

Our work is entirely computational, with most of our code written in C++ supplemented with FORTRAN libraries. The computations take place on the Walnut Cluster at the University of Pennsylvania.