Research Vision

We are looking for motivated undergraduate students, graduate students, regardless of previous computational experience, as well as motivated postdocs.

Research Goals

Materials determine everything about our day-to-day life, and modeling allows us to understand: Why is glass transparent? Why is a material a magnet or not? What makes it conduct electricity? What makes it usable in a smartphone screen.

Our work consists of discovering and understanding the materials of the future. The group is very student centric: after mastering the basics, students are encouraged to have their own take on - or design - their own projects.

Even though our work is theoretical, many students in the group initially had an experimental background. Varied backgrounds help the group, as creativity often arises at the intersection between disciplines.

A more specialist description of our work: we combine computational tools (density functional theory), chemistry and physics-informed models, materials science (symmetry analysis, structure-property relations), data science (automated, machine learning-assisted materials discovery and understanding), and close collaboration with experiment to discover new materials and understand and control their properties. We are focused on building wide-ranging, predictive models of materials behavior.

We are happy to discuss future research plans in person or via zoom.