Research Associate in Spectroscopy and Molecular Modelling for Zeolite Catalysed Alcohol-to-jet-fuel Catalysis

About the role

This role is part of the UK Catalysis Hub where the practical work will take place at the Research Complex at Harwell (RCaH), working within the Hub laboratories.

The UK Catalysis Hub is a national consortium of 46 universities, 15 companies, the STFC Harwell science facilities, and 13 international partners established in 2013 to coordinate and advance UK catalysis research and connect it internationally. Now in its third phase of funding, its priority research areas include sustainability and net zero, digital chemistry, and advanced characterisation methods. One of its core missions is to support the training and career development of early career researchers via community events.

This is an exciting opportunity for a skilled and motivated postdoctoral researcher to work at the interface of heterogeneous catalysis, in situ spectroscopy, and computational modelling to understand molecular behaviour in zeolite catalysts for sustainable aviation fuels.

This one-year project brings together complementary expertise in catalytic testing and in situ spectroscopy (Lezcano Gonzalez, UK Catalysis Hub/Manchester) with atomistic modelling and simulation of microporous catalysts (O’Malley, Bath). The work will focus on the alcohol-to-jet (ATJ) process, a key route to sustainable aviation fuels, and aims to establish how adsorption, diffusion, and competitive site interactions within zeolite micropores govern catalytic performance, selectivity, and stability.

The project will involve catalytic testing in fixed-bed reactors and in situ FTIR/DRIFTS spectroscopy to probe adsorption, acid-site interactions, and reaction intermediates, alongside computational studies using density functional theory and molecular dynamics simulations. The successful candidate will be based at Harwell and will work closely with both experimental and modelling teams, gaining experience across multiple techniques.

This role offers a unique opportunity to develop an integrated experimental–computational skillset, with strong links to national facilities (ISIS and Diamond) and future large-scale research programmes. There will also be opportunities to engage with industrial partners working on sustainable aviation fuels and advanced catalyst materials. 

Both the UKCH and University of Bath are strongly committed to ED&I and RRI, with comprehensive strategies to tackle long-standing issues facing under-represented groups and key ethical issues, focusing on empowering, inspiring, connecting and upskilling more diverse leaders.

About you

Ideal candidate will have experience in the use of vibrational spectroscopy to study the adsorption of molecules into porous materials, and experience of collaborating with expertise in quantum mechanical calculations or using such methods directly. 

Apart from excellent technical skills, good organisational, communication and presentation skills are essential for this role, as is the ability to work well in an interdisciplinary environment. 

Interaction with partners of the UK Catalysis Hub and participation in their events will be expected.

Further information

This is a full time (36.5 hours per week) fixed term role with an expected start date of September 2026. 

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