Molecular
Quantum Theory

Welcome to the Molecular Quantum Theory Group at University College London led by Dr Hugh Burton.

We are a new theoretical chemistry group starting in the Department of Chemistry, UCL in January 2025. Our research investigates the quantum theory of electrons in molecules, with the aim of accurately predicting the properties of open-shell molecules and interactions between molecules and light.

In our group, we study the differential geometry of electronic structure to understand the electron correlation in open-shell ground and excited electronic states, and to develop more accurate mathematical models of quantum states. We also investigate how future quantum computing algorithms can be developed to systematically encode the quantum properties of interacting electrons. These theoretical insights provide the foundation for developing new computational techniques to understand open-shell molecules and molecular excitations, with applications to radical chemistry and light-driven reactions.

We are always interested to hear from potential new group members and collaborators (contact us). Prospective applicants for PhD and PostDoc positions can find more detail about open opportunities here.