Department of Chemistry, South Parks Road, Oxford A position is available for a Doctoral Network Researcher for a period of 36 months, tenable at Oxford University, on a research project:Advancing TM-Catalyst Design: Combining data and mechanistic insights. The successful candidate will be registered for PhD training while employed by the University as part of the UKRI Guarantee Doctoral Networks-funded Marie Skłodowska-Curie Actions Grant “CATALOOP” (“The CATALOOP network aims at the development of powerful and readily applicable workflows for data-driven development of stereoselective catalysis). Computational chemistry holds great promise for advancing catalyst design. However, current methods are often time-intensive and tailored to specific systems. This project aims to advance catalyst design by integrating data-driven methodologies with physics-based machine learning interatomic potentials (MLIPs). The project involves close collaboration with experimentalists and focuses on: a) Developing novel approaches to evaluate synthetic accessibility. b) Leveraging MLIPs to uncover mechanistic insights into TM-catalysed reactions. These insights will directly inform the design and optimisation of more efficient and sustainable catalysts. The applicant will work within the research team of Prof. Fernanda Duarte, based in the Department of Chemistry, and collaborate closely with experimentalists Department of Chemistry, University of Oxford. The successful applicant will also become a member of the EU network “CATALOOP”, funded from Marie Skłodowska-Curie Actions grant. They will become part of a Europe-wide network of students and investigators all working on projects related to closing the loop in stereo selective catalysis with data-driven approaches. Annual scientific meetings and training events will be included in the network’s activities. Furthermore, the successful applicant will have the opportunity to carry out a secondment at another laboratory (“node”) of the network during the 36 month project. Under the terms of the UKRI Horizon guarantee scheme funding, to be eligible for this post candidates:- at the time of the fellowship start date,must notalready be in possession of a PhD or have more than 4 years of full-time equivalent research experience as measured from the award date of your first degree or undergraduate degree.-must nothave been resident in the UK for more than a total of 12 months in the past three years up to the fellowship start date as the scheme aims to promote mobility within the research community To be eligible candidatesmust also be accepted by the University of Oxford as a DPhil student and continue to be a registered student for the duration of the employment contract.Candidates will be assisted with the graduate admissions process. All graduate awards are subject to the Examination Regulations currently in force: see The salary payable will be no less than £43,883.36 per annum. Actual salary will depend on employer deductions, personal circumstances and the exchange rate applicable to the fellowship. This amount includes an annual living allowance and a mobility allowance (to cover the expenses associated with working in a different country). The start date is subject to discussion; the latest possible date is 1st October 2025. Further particulars for the post can be found in the job description. An application should include a CV, a letter describing how you meet the criteria for the post (see further particulars), together with the names and contact details of two referees.