Molten salts play a central role in the UK’s nuclear future, being candidates for use in advanced fission reactor designs, fuel recycling, and fusion breeder blankets. The current understanding of how these materials behave under extreme conditions – high temperature, radiation, and complex chemistry – is poor. Experiments are challenging, expensive, and slow due to corrosion, volatility, and other safety constraints. As a result, there is a strong need for accurate computational tools for experimental guidance and innovation acceleration. 

This project will develop and apply next-generation simulation and theoretical methods to predict thermophysical properties of molten salt mixtures with high accuracy. We will train refine machine-learnt interatomic potentials – combining the accuracy of density functional theory (DFT) with the speed of classical molecular dynamics (MD) simulations to produce and analyse these data. The project will also involve developing new theoretical methods to better understand the relationship between transport properties (e.g. viscosity, diffusivity, thermal conductivity) and thermodynamic properties (e.g. heat capacity, entropy, and density). These are critical inputs for engineers designing next-generation nuclear systems, and results will be validated with experimental collaborators, ensuring strong links between theory and application. The student will have the option to participate in neutron scattering experiments at the STFC ISIS neutron and muon source facility, validating the microscopic predictions of MD simulations.

The successful candidate will join Bangor’s Nuclear Futures Institute, an interdisciplinary research environment covering reactor physics, materials science, and nuclear policy. The PhD will be co-supervised with the Science and Technology Facilities Council (STFC) at Daresbury laboratory, with working time split across both sites. The student will be part of a wider UK doctoral training network, working alongside universities, national laboratories, and industry partners. 

This fully funded studentship includes tuition fees, a stipend of £26,000 per year, and support for travel and training. It is open to UK home students with a strong background in physics, chemistry, or related disciplines. We welcome candidates with an interest in statistical mechanics, computational physics, and high-performance computing. This project offers the opportunity to contribute to nationally important challenges in clean energy and advanced technology, while developing highly sought-after skills at the interface of physics, computation, and engineering. 

PANDA is committed to widening access; we welcome applications from mid-career switchers and those returning from career

Students will receive an enhanced, tax free, stipend of £26,000 per annum 

This position is due to start in October 2026. This project includes a 1 year placement with STFC Daresbury, Elena and Greg Cartland-Glover.