Novel Wavefunction Theory for Electronic Excitations
Institute: University College London
Supervisor: Dr Hugh Burton
Closing date: 31 January 2025
About the Project
Interview date: February 2025
Start date: 1st October 2025
UCL Chemistry Department is offering a fully funded studentship to a highly motivated candidate to start in October 2025. The student will carry out doctoral research within the Molecular Quantum Theory Group led by Dr Hugh Burton at UCL.
Shining light on molecules can promote electrons into excited states, providing energy to catalyse reactions or enable chemical reactions. However, predicting excited states requires complex quantum mechanics that scales exponentially with the number of electrons, meaning that approximate models are vital. At present, we lack methods that can describe excited states with sufficient accuracy and efficiency for predictive simulations of photochemical processes, and new theoretical techniques are urgently required.
In this PhD studentship, you will investigate new wavefunction models for predicting photo-excitations in molecules using high-energy solutions in electronic structure theory. Your research will involve a combination of pen-and-paper theory and computational software development, working towards our long-term vision of accurately and efficiently predicting molecular excited states in chemical bond breaking and open-shell processes. This studentship lies at the intersection of quantum theory and photochemistry, and will provide opportunities to collaborate with our research partners in UCL and elsewhere.
We are a new theoretical chemistry group in the Department of Chemistry starting in January 2025. You can find more details about our research on the group website www.hughburton.com. We are looking for an enthusiastic and self-motivated PhD candidate with a strong background in theoretical and computational chemistry, quantum physics, photochemistry, or a related field. Experience in programming is desirable, though not essential.
Applicants should have, or be expecting to achieve, a first or upper second-class Honours degree or equivalent in Chemistry, Physics, Mathematics, or a related discipline.
Interested candidates should initially contact the supervisor, Dr Hugh Burton, with a degree transcript, motivation letter expressing interest in this studentship, and CV. Informal inquiries are encouraged. Please note that a suitable applicant will be required to complete MS Form entitled Application for Research: degree Chemistry programme. In addition, it is essential that suitable applicants complete an electronic application form at http://www.ucl.ac.uk/prospective-students/graduate/apply (please select Research degree: Chemistry programme) prior to the application deadline and advise their referees to submit their references as soon as they possibly can. All shortlisted applicants will be invited for an interview no more than 4 weeks after the application deadline. Any admissions queries should be directed to Fahmida Yasmin and Dr Jadranka Butorac at doctoral.chem@ucl.ac.uk.
Funding Notes
Applications are welcome from UK nationals, EU students with settled/pre-settled status and students with indefinite leave to remain or enter. Please note that the studentship only covers home fees. The updated rules for eligibility for home fees for next year are available at View Website