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  Molecular modelling of sorption in materials with different isotopes of hydrogen


   Department of Chemistry

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  Prof Steve Parker  No more applications being accepted  Funded PhD Project (UK Students Only)

About the Project

The University of Bath is inviting applications for the following PhD project commencing in October 2023.

Supervisory Team:

Lead supervisor: Prof Steve Parker (Department of Chemistry)

Co-supervisors: Dr Alex O’Malley (Department of Chemistry), Prof Semali Perera (Department of Chemical Engineering) and Dr Alf Hill (Department of Chemical Engineering)

Overview of the Research:

The nuclear fusion and hydrogen-based economy industries face a number of considerable challenges. These include developing materials for hydrogen containment and separation. This project is a collaboration with the UKAEA Culham Science Centre (subject to contract), Europe’s flagship fusion research facility, where a particular challenge is both to separate and store the different isotopes of hydrogen.

In this project, you will develop and apply molecular modelling approaches capable of predicting the performance of materials for hydrogen isotope separation and containment. You will be comparing, validating and fine-tuning the models using the data generated by the Tritium Innovation Unit at Culham and by other PhD students.

You will have the opportunity to spend time at JET: the Joint European Torus and work with the team there. At the University of Bath, you will work within the Computational Chemistry group and the Centre for Sustainable Circular Technologies which has a lively community of PhD students. The supervision team has very strong experience in adsorption, diffusion and modelling of materials.

Candidate Requirements:

Applicants should hold, or expect to receive, a First Class or good Upper Second Class UK Honours degree (or the equivalent) in a relevant subject. A master’s level qualification would also be advantageous.

Non-UK applicants must meet our English language entry requirement.

Enquiries and Applications:

Informal enquiries are encouraged and should be directed to Prof Steve Parker on email address [Email Address Removed].

Formal applications should be submitted via the University of Bath’s online application form for a PhD in Chemistry prior to the application deadline of Sunday 26 March.

More information about applying for a PhD at Bath may be found on our website.

Funding Eligibility:

To be eligible for funding, you must qualify as a Home student. The eligibility criteria for Home fee status are detailed and too complex to be summarised here in full; however, as a general guide, the following applicants will normally qualify subject to meeting residency requirements: UK and Irish nationals (living in the UK or EEA/Switzerland), those with Indefinite Leave to Remain and EU nationals with pre-settled or settled status in the UK under the EU Settlement Scheme. This is not intended to be an exhaustive list. Additional information may be found on our fee status guidance webpage, on the GOV.UK website and on the UKCISA website.

Exceptional Overseas students (e.g. with a UK Master’s Distinction or international equivalent and relevant research experience), who are interested in this project, should contact the lead supervisor in the first instance to discuss the possibility of applying for supplementary funding.

Equality, Diversity and Inclusion:

We value a diverse research environment and aim to be an inclusive university, where difference is celebrated and respected. We welcome and encourage applications from under-represented groups.

If you have circumstances that you feel we should be aware of that have affected your educational attainment, then please feel free to tell us about it in your application form. The best way to do this is a short paragraph at the end of your personal statement.


Chemistry (6) Materials Science (24) Physics (29)

Funding Notes

A studentship includes Home tuition fees, a stipend (£17,668 per annum, 2022/23 rate) and research/training expenses (£1,000 per annum) for up to 3.5 years. Eligibility criteria apply – see Funding Eligibility section above.

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