PhD Studentship: Recalibrating Quantum Advantage for the Simulation of Chemical Reactions
Institute: King’s College London
Supervisor: George Booth
Closing date: 1 June 2026
A funded 4-year joint PhD between King’s College London and the National Physical Laboratory is available for methodological developments into quantum algorithms for realistic electronic structure.
Award details
Quantum computers are on their way, and (as originally envisaged by Feynman) one of the most impactful application areas they are expected to disrupt is in the simulation of electronic structure for molecular and materials modelling. In a collaboration between Prof. George Booth at King’s College London (KCL), and Dr. Yannic Rath at the National Physical Laboratory (NPL), this ambitious PhD project will work at the intersection of classical and quantum algorithm development, to devise scalable and robust quantum algorithms for the simulation of chemistry and physical processes over reactive timescales. In particular, we will consider a grand challenge of simulating photo-induced reactivity of molecular processes, leveraging quantum devices and data-driven inference for the end-to-end simulation of non-adiabatic wave function dynamics over realistic timescales. This will build on recent advances in a novel data-efficient classical interpolation scheme which acts directly on quantum variables, to allow for noise-resilience and boosting of the accessible time scales of the quantum simulation. By interpolating smooth electronic features from sparse quantum data, we aim to leverage both quantum and classical resources to reduce quantum computational demands by many orders of magnitude.
The candidate will be embedded in an active research environment dedicated to developing novel numerical approaches bridging the gap between the promise and practical deployment of quantum computing for simulating quantum many-body systems at both KCL, and as part of NPL’s Quantum Software and Modelling team at its Teddington campus. The role will involve regular periods working at both London locations. Excellent opportunities for interaction exist within the UK quantum computing ecosystem, including the QCi3 hub, as well as London’s established materials modelling community, such as the Thomas Young Centre and the Materials and Molecular Modelling Hub. The collaboration also benefits from strong industrial ties with leading quantum computing and data-driven chemistry companies.
The project will challenge the candidate to develop and apply both quantum and data-driven classical algorithms for many-body physics and molecular simulation, and connect quantum software design with industrial application, equipping the student with a combination of expertise in these different domains. The candidates should have a keen interest in computational methods for modelling quantum many-body systems from a physics or chemistry perspective, experience in scientific programming, as well as being keen to work in a team based in London. Knowledge of quantum information processing is also desirable but not essential. Regular training, conference attendance, professional development and opportunities for project dissemination will be expected.
Applicants are expected to have a masters-level degree, or are awaiting its award, in a relevant area (Theoretical/Computational Physics or Chemistry). For more details on the project feel free to contact George Booth at george.booth@kcl.ac.uk and Yannic Rath at yannic.rath@npl.co.uk with a brief CV for informal discussions. Start date: October 2026.
Refs:
- Lenihan et al., ArXiv:2506.15438 (2025)
- Rath & Booth, Nat. Commun., 16, 2005 (2025)
- Atalar et al., Faraday Discuss., 254, 542 (2024)
Award value
This is an EPSRC IDLA funded studentship.
Full funding is available for 4 years and covers tuition fees and a tax-free stipend according to the standard UKRI rates for 2025/26. with possible inflationary increases after the first year. Funds are also available for travel, conferences and training.
Eligibility criteria
Applicants should hold, or expect to gain, a first or upper second class degree in physics or a relevant related subject, and be exceptionally motivated for research.
Application process
To be considered for the position candidates must apply via King’s Apply online application system. Details are available at https://www.kcl.ac.uk/physics/postgraduate/research-degrees.
Please apply for PhD in Physics Research and indicate Prof. George Booth as the supervisor and quote the project title in your application and all correspondence.
Please ensure to add the following code ‘1001’ in the Funding section of the application form. Please select option 5 ‘I am applying for a funding award or scholarship administered by King’s College London’ and type the code into the ‘Award Scheme Code or Name’ box. Please copy and paste the code exactly.
The selection process will involve a pre-selection on documents and, if selected, will be followed by an invitation to an interview. If successful at the interview, an offer will be provided in due course.
Contact:
If you require support with the application process please contact pgr-physics@kcl.ac.uk.