Aston University
2 weeks ago
PhD in AI-Driven Catalyst Discovery for Engineered Greenhouse Gas Removal in Net-Zero Chemical Processes Aston University in United Kingdom
Degree Level
PhD
Field of study
Computer Science
Funding
Four-year fully funded studentship with a tax-free stipend at the UKRI rate (£21,805 per year for 2026/27), paid tuition fees, and a generous research training support grant.
Country
United Kingdom
University
Aston University

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About this position
PhD opportunity in AI-driven catalyst discovery for engineered greenhouse gas removal in net-zero chemical processes at Aston University within the Net2Zero Centre for Doctoral Training. The project sits in the broader areas of chemical engineering, chemistry, materials science, computer science, and environmental science, with a strong computational and data-driven focus.
The research aims to accelerate catalyst development for reactions relevant to greenhouse gas removal, including CO2 utilization, CO2 hydrogenation, and biomass conversion. You will develop AI/ML models to predict catalyst activity, selectivity, and stability; integrate experimental and simulation data; use active learning; and validate predictions with computational methods such as density functional theory and experimental collaboration.
This is a fully funded 4-year PhD with a tax-free UKRI stipend, paid tuition fees, and research training support. The CDT also offers interdisciplinary training, networking with academia/industry/government, and a possible three-month placement with an external partner.
Eligibility highlights: applicants should have, or expect to obtain, a First Class or high 2:1 honours degree and/or a Master’s degree in Engineering, Physics, or Chemistry. Strong maths and programming skills are essential. English language evidence is required if English is not your first language. This opportunity is only open to home-fee applicants; international candidates will not be considered.
Supervisors listed are Prof. Sai Gu and Prof. Evgeny Rebrov. The project is associated with the Net2Zero CDT, a partnership involving Aston University, the University of Nottingham, Queen’s University Belfast, and the University of Warwick. The work location is shown as University of Warwick on the page.
Applications are submitted via an Expression of Interest form. Shortlisted candidates may be invited to meet the supervisors, and successful applicants will later complete a formal application through the relevant home institution.
Funding details
Four-year fully funded studentship with a tax-free stipend at the UKRI rate (£21,805 per year for 2026/27), paid tuition fees, and a generous research training support grant.
What's required
Applicants should hold, or expect to obtain before the start date, a First Class or high 2:1 honours degree (or equivalent overseas qualification) and/or a Master's degree in Engineering, Physics, or Chemistry. Strong maths and programming skills are essential. English language evidence is required if English is not the applicant’s first language. The opportunity is only available to applicants who qualify for home fee status; international candidates will not be considered.
How to apply
Submit an Expression of Interest using the provided Google Form link. If shortlisted, you may meet the potential supervisors. If offered a place after interviews, you must submit a formal application within the relevant home institution.
More information can be found here
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