PhD Studentship: Modelling Actinide Speciation in Solution with Multiconfigurational Quantum Chemistry Techniques
Investigate actinide speciation for nuclear waste management using advanced multiconfigurational quantum chemistry.
Best for:Best for chemistry or physics graduates with a strong interest in computational quantum chemistry and nuclear fuel cycle applications.
Overview
The University of Manchester invites applications for a fully funded 3.5-year PhD studentship within the Department of Chemistry. The project focuses on applying multiconfigurational relativistic methods to model actinide speciation in solution, supporting the UK's nuclear fuel cycle and waste management initiatives. The successful candidate will combine computational chemistry techniques with experimental data to interpret X-ray absorption and emission spectra. Applicants are expected to hold a strong degree in chemistry, physics, or a related discipline and demonstrate high motivation for computational research.
What you'll do
- Develop and apply multiconfigurational relativistic approaches to study actinide speciation in solution environments
- Integrate computational techniques with high-level electronic structure methods to account for solvent and ligand effects
- Simulate X-ray absorption and emission spectra of heavy elements
- Compare computational simulation outcomes with experimental spectroscopic data
- Contribute to building a transferable computational framework for nuclear fuel cycle applications
Requirements
Degree required: BSc (2.1 honours) or Master's degree in Chemistry, Physics, or related discipline
Degree offered: PhD
Language: English; standard university proficiency standards apply
Instruction: English
- Background in Chemistry, Physics, or a closely related quantitative discipline
- Familiarity with computational chemistry or quantum mechanical methods
- Strong analytical and problem-solving skills
- Capacity to interpret complex spectroscopic or physical data
- Eligible to pay tuition fees at the Home rate as defined by The University of Manchester
Funding & terms
How to apply
Deadline: 2026-12-21
Interested candidates should contact the main supervisor, Dr Meagan Oakley, via email with details of their academic background, current level of study, and relevant experience. Applicants must also include a dedicated paragraph explaining their motivation to undertake this specific PhD project, followed by formal submission through the university portal.
- CV
- Academic transcripts
- Motivation statement
Contact
Meagan Oakley· Main Supervisor
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