PhD Studentship:Computation and Data Driven Design of Materials for Onboard Ammonia Cracking

Computation and Data Driven Design of Materials for Onboard Ammonia Cracking

This exciting opportunity is based within the Advanced Materials Research Group at the Faculty of Engineering which conducts cutting edge research into discovering new materials for onboard ammonia cracking applications using computational and data approaches.

Vision

We are seeking PhD student that is motivated by zero-carbon fuel for propulsion.

Together we will identify and develop new materials that can be utilised to improve the efficiency of onboard ammonia cracking, which will help to unlock ammonia’s potential as a carbon-free fuel for heavy-duty transport.

Motivation

Ammonia is gaining attention as a zero-carbon fuel, when produced using renewable energy, due to its high energy density, ease of liquefaction, and compatibility with existing fuel infrastructure. Co-fuelling of ammonia with hydrogen in internal combustion engines has been extensively studied because of improved combustion characteristics, e.g. accelerated early combustion, misfire reduction, and higher thermal efficiency. To unlock ammonia’s potential as a carbon-free fuel for heavy-duty transport- including maritime shipping, aviation, and long-haul trucking—efficient onboard ammonia cracking technologies are urgently needed. This PhD project will focus on the computational design and screening of new materials for the decomposition of ammonia into hydrogen and nitrogen under practical onboard conditions. Successful candidate will develop and apply computational methods, such as density functional theory based atomistic modelling and machine learning, and employ high-throughput computational screening and materials informatics, to identify promising candidate materials.

Aim

You will work with Dr Sanliang Ling and Prof Alasdair Cairns. You will have the opportunity to build new skills in computational and data-driven methods for materials discovery and screening, while also gaining deeper insight into the implementation of zero-carbon fuels in future propulsion systems. There is also opportunity for successful candidate to collaborate with experimental teams for materials synthesis, characterisation and validation of computational predictions.

Who we are looking for

Candidates must possess or expect to obtain, a 2:1 or first-class degree in Chemistry, Physics, Materials Science, Engineering, or related physical sciences discipline

Funding support

We are offering 42 months funding covering home fees and UKRI minimum stipend (£20,780 for 2025/26). Due to funding application restrictions, the position is only available for UK/eligible for home fees candidates.

The University actively supports equality, diversity and inclusion and encourages applications from all sections of society.

The Faculty of Engineering provides a thriving working environment for all PGRs creating a strong sense of community across research disciplines. Community and research culture is important to our PGRs and the FoE support this by working closely with our Postgraduate Research Society (PGES) and our PGR Research Group Reps to enhance the research environment for PGRs. PGRs benefit from training through the Researcher Academy’s Training Programme, those based within the Faculty of Engineering have access to bespoke courses developed for Engineering PGRs. including sessions on paper writing, networking and career development after the PhD. The Faculty has outstanding facilities and works in partnership with leading industrial partners.

For further information or to apply, please send Dr Sanliang Ling (Email: Sanliang.Ling@nottingham.ac.uk) a covering letter, CV and academic transcripts.

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