Useful tutorials, scripts and online tools may be found at the Zurek Group Wiki.

We are interested in computational studies of nanostructures, catalysis, molecules adsorbed to surfaces, electrides, as well as superhard, superconducting, planetary, quantum and energy materials, and more. We develop machine learning models and methods for crystal structure prediction.

Below is a list of centers that we are currently part of, and grants that fund our research.