PhD in Simulations of Sodium-Ion Battery Materials at University of Southampton University of Southampton in United Kingdom

PhD opportunity at the University of Southampton in simulations of sodium-ion battery materials, with a focus on atomistic modelling, AI methods, and continuum modelling. The project is part of the Faraday Institution battery multiscale modelling (MSM) project and is aimed at understanding and improving sodium-ion battery performance, especially through the study of hard carbon anodes.

The research will use large-scale density functional theory (DFT) with ONETEP, together with machine-learned interatomic potentials (MLIPs) and related simulation workflows. Topics include sodium desolvation, pore filling, cluster formation, solid-electrolyte interphase (SEI) formation, and the kinetics of sodium incorporation. The project is designed to generate atomistic data that can feed directly into macroscopic models, with validation supported by experimental work across the Faraday Institution network.

Supervision: Professor Chris Skylaris (lead supervisor) and Dr Sergio Vernuccio, plus an industrial co-supervisor. The project also includes participation in the Faraday Institution PhD Training Programme, with networking, industry visits, mentorship, internships, and specialist training.

Eligibility: UK 2:1 honours degree or equivalent in chemistry, physics, or materials science. Experience with DFT or atomistic simulation methods is desirable. This opportunity is open only to UK nationals or applicants with settled status.

Funding: Fully funded for home students. Tuition fees are covered, and the student receives a tax-free stipend at the UKRI rate for up to 4 years, plus £2,000 per year for training and consumables.

Deadline: 31 July 2026.

How to apply: Submit an application via the University of Southampton portal, choose the relevant research programme and PhD Chemistry (7189), add the supervisor name, and complete the Faraday Institution expression of interest form. Prepare a CV, academic references, transcripts/certificates, and English language evidence if needed.