PhD studentship in Theoretical Chemistry at University College London, England

Organic molecules with unpaired electrons, known as radicals, have recently been shown to make highly efficient organic light-emitting diodes (OLEDs) and their spin properties make them promising candidates for molecular quantum computing. However, their impressive properties are difficult to simulate due to their open-shell electronic structure which can lead to the spin-contamination problem. In addition, many organic radicals are unstable or non-emissive and there is a need for more and clearer design rules for useful organic radicals, especially for quantum computing applications.

This project suits a talented and ambitious student with an interest in theoretical and computational chemistry, and preferably someone who has previous research experience in this area. Some knowledge or experience of electronic structure theory is desirable but not essential. The Hele group is well-resourced and there are many opportunities for conference travel and experimental collaborations.

Informal enquiries by email ( are also encouraged.


Deadline for application: 8 January 2024, 13:00 UK time

Details on applying