Research
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.
- We are leading a project to design two 25-petawatt lasers using optical parametric chirped pulse amplification, as well as associated experimental and diagnostic systems at NSF-OPAL.
- Funded by the Designing Materials to Revolutionize and Engineer our Future (DMREF) program, we are part of a team designing Next Generation Superhard Functional Materials.
- Research on superconductivitiy is sponsored by Intellectual Ventures Deep Science Fund.
- The NSF supports our studies concerning Metallization of Hydrogen-Rich Materials: Prediction of Novel Superconductors.
- In collaboration with the Duke Autonomous Materials Design Center we are funded by a MURI to design SPInodal-hardened high-entropy CEramicS (SPICES).
- The Center for Matter at Atomic Pressures (CMAP) is an NSF Physics Frontier Center dedicated to exploring matter under the uncharted, extreme conditions at which most of the known mass in the universe resides.
- The Chicago/DOE Alliance Center (CDAC) is an NNSA Stewardship Sciences Academic Alliances Program dedicated towards high pressure science and technology, as well as training the next generation of scientists to work in this field.
- We are part of a team funded by the Quantum Information Science for Fusion Energy Sciences (QIS-FES) program within the Department of Energy. Our goal is to perform advanced experiments and computations to study quantum behavior that emerges under high pressures.
- In a collaboration with Dr. Sherry Chemler we carry out computations to study mechanistic aspects of nitrogen and oxygen heterocycle synthesis.
- We are external partners of the Center for Advanced Functional Materials at CSUSB. The center is funded by the NSF Centers of Research Excellence in Science and Technology II program. We mentor and host undergraduate students from CSUSB in our group.