About the project
Explore how molecules behave after photoexcitation by developing new electronic structure methods for excited-state dynamics on classical and quantum computers. This project combines theoretical chemistry, scientific programming, and quantum computing to advance molecular simulations. Join an international research environment offering opportunities for algorithm development, experimental collaborations, and quantum hardware experiments.
Understanding how molecules behave after photoexcitation is key to explaining fundamental processes in chemistry, physics, and biology. Simulating these processes requires accurate descriptions of the underlying electronic states, posing major challenges for computational methods. The emergence of quantum computing offers exciting opportunities to rethink established approaches and develop new theoretical tools bridging classical and quantum computing.
You will join a dynamic and collaborative research group working on electronic structure theory for classical and quantum computers, excited-state molecular dynamics, and quantum computing experiments. Our research combines fundamental method development with computational applications and collaborations with quantum start-ups, industry partners, and experimentalists studying ultrafast molecular processes.
Your research will focus on developing wavefunction-based electronic structure methods for excited-state molecular dynamics, applicable to both classical and quantum computers. Possible directions include ground- and excited-state molecular gradients and nonadiabatic couplings, using both wavefunction and response theory formalisms.
Depending on your interests and expertise, you can focus on classical or quantum computing, algorithm development, benchmarking, or experiments on quantum hardware.
You will work closely with experienced researchers and your supervisor, combining mathematical theory, scientific programming, and computational simulations. The project involves collaborations with Erik Kjellgren (SDU), Sonia Coriani (DTU), and Basile Curchod (Bristol).
A research stay in Denmark is possible through collaboration with the Danish quantum initiative HQC2.
The School of Chemistry & Chemical Engineering is committed to promoting equality, diversity inclusivity as demonstrated by our Athena SWAN award. We welcome all applicants regardless of their gender, ethnicity, disability, sexual orientation or age, and will give full consideration to applicants seeking flexible working patterns and those who have taken a career break. The University has a generous maternity policy, onsite childcare facilities, and offers a range of benefits to help ensure employees’ well-being and work-life balance. The University of Southampton is committed to sustainability and has been awarded the Platinum EcoAward.
