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.

We are deliberately at the intersection of chemistry, physics, and materials science, trying to push previously underexplored directions. Our focus is on materials with novel bonding motifs: correlated orbital materials with molecular orbitals in a solid, materials with photoluminescence arising from lone pairs, electrides (where electrons take up space in a crystal and can’t be projected onto any specific atom) and other confined states (e.g. materials with localized states arising from frustration).

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