Staff profile

Steve's current research aims to use theory and molecular simulation to understand the structure of complex interfacial systems. Examples include polar crystal surfaces in solution, water-graphene interfaces, and electrode-electrolyte interfaces. His work is increasingly focused on using (and developing) classical density functional methods to understand how physical chemistry at the microscopic scale impacts mesoscopic phenomena.

You can find out more about the Cox Group and their research by visiting their website. 

Steve obtained his PhD in Computational Chemistry from UCL in 2014, studying how solid surfaces impact ice nucleation (working under the supervision of Prof. Angelos Michaelides FRS). He then moved to Berkeley to undertake postdoctoral research with Prof. Phillip Geissler, where he developed theories to understand ion solvation in water. In 2017, Steve obtained an 1851 Research Fellowship to continue his research into ion solvation independently in Cambridge, with a greater emphasis on liquid-solid interfaces. Since 2021, Steve has held a Royal Society University Research Fellowship, which has allowed him to build his own research group. In 2024 he moved his URF from Cambridge to Durham, where he also holds the proleptic post of Assistant Professor in Computational Chemistry / Data Science. 

PhD Studentships — Starting October 2026

We welcome applications from enthusiastic and motivated students who are interested in pursuing a PhD in our group. If you are considering joining us, please contact Steve directly to discuss potential funding opportunities. When you get in touch, please include an up-to-date CV and a short description of your previous research experience.

Possible PhD projects are likely to focus on developing classical density functional theory methods to understand chemical separation processes under confinement or electrochemical energy storage. The precise topic can be tailored to the strengths and interests of the candidate, so please reach out to discuss ideas.

While contact can be made at any time of year, owing to internal University deadlines for funding, it is highly recommended that you make contact between October and (early) December.

Postdoctoral Research Opportunities

Postdoctoral positions will be advertised when funding becomes available. We are also keen to support applications for independent fellowships (such as 1851 Research Fellowships or Marie Skłodowska-Curie Fellowships). If you are interested in joining the group through one of these routes, please contact Steve to discuss potential projects.

A full list of publications from the group can be found on Google Scholar.

Journal Article

• A first-principles approach to electromechanics in liquids
  
  Bui, A. T., & Cox, S. J. (2025). A first-principles approach to electromechanics in liquids. Journal of Physics: Condensed Matter, 37, Article 285101. https://doi.org/10.1088/1361-648x/ade7e7
• Symmetry Breaking in the Superionic Phase of Silver-Iodide
  
  Hajibabaei, A., Baldwin, W. J., Csányi, G., & Cox, S. J. (2025). Symmetry Breaking in the Superionic Phase of Silver-Iodide. Physical Review Letters, 134(2), Article 026306. https://doi.org/10.1103/PhysRevLett.134.026306
• Learning classical density functionals for ionic fluids
  
  Bui, A. T., & Cox, S. J. (2025). Learning classical density functionals for ionic fluids. Physical Review Letters, 134, Article 148001. https://doi.org/10.1103/PhysRevLett.134.148001
• Momentum tunnelling between nanoscale liquid flows.
  
  Coquinot, B., Bui, A. T., Toquer, D., Michaelides, A., Kavokine, N., Cox, S. J., & Bocquet, L. (2025). Momentum tunnelling between nanoscale liquid flows. Nature Nanotechnology, 20, 397–403. https://doi.org/10.1038/s41565-024-01842-8
• Revisiting the Green–Kubo relation for friction in nanofluidics
  
  Bui, A. T., & Cox, S. J. (2024). Revisiting the Green–Kubo relation for friction in nanofluidics. The Journal of Chemical Physics, 161(20), Article 201102. https://doi.org/10.1063/5.0238363
• A classical density functional theory for solvation across length scales
  
  Bui, A. T., & Cox, S. J. (2024). A classical density functional theory for solvation across length scales. The Journal of Chemical Physics, 161(10), Article 104103. https://doi.org/10.1063/5.0223750