Fully Funded PhD in Computational Chemistry, Machine Learning, and Materials Discovery at University of Liverpool University of Liverpool in United Kingdom

The University of Liverpool is offering a fully funded PhD position as part of the EPSRC Centre for Doctoral Training in Digital and Automated Materials Chemistry (DAMC CDT). This opportunity is ideal for candidates interested in computational chemistry, machine learning, and materials discovery, with a focus on bridging the gap between computational predictions and real-world synthesis of materials. The project aims to make more realistic predictions of material stability at synthesis temperatures by integrating machine learning, thermodynamics, and disorder modelling into traditional computational chemistry methods.

Supervised by Dr George Darling and Prof Matthew Rosseinsky, the student will join a collaborative team at the Materials Innovation Factory, the largest industry-academia colocation in UK physical science. The research will involve developing next-generation methods for predicting synthetically accessible structures, improving the accuracy of predictions by capturing finite temperature behaviour and including disordered materials in stability assessments. The project builds on recent advances in digitally targeted discovery and comprehensive description of disorder in crystalline materials.

The successful candidate will develop skills in programming, machine learning, solid state and computational chemistry, and scientific communication. The training is cohort-based, with structured support and access to world-class facilities. The PhD programme is designed in collaboration with 35 industrial partners to produce flexible, employable researchers capable of cross-domain communication.

Funding includes full home tuition fees, a maintenance grant for 4 years at the UKRI minimum rate (£21,805 for 2026/27), and a Research Training Support Grant for consumables and conferences. Limited scholarships are available to cover the fee difference for outstanding international students. Disabled Students’ Allowance may be available for eligible candidates.

Applicants should have, or be due to obtain, a Master’s degree or equivalent in Chemistry, Engineering, Materials Science, Physics, or related disciplines. Exceptional candidates with a First Class undergraduate degree will also be considered. International applicants must meet the minimum English language requirement of IELTS 6.5 overall (no band below 5.5) or equivalent.

To apply, candidates are encouraged to contact the supervisory team for informal enquiries, prepare application documents as per the CDT guide, and submit an online application including the project title and reference number CCPR170, indicating Chemistry as the subject area. Applications are reviewed on a rolling basis, and early application is advised as the position may be filled before the deadline of 30th April 2026.

For more information, visit the project and supervisor pages or contact Dr George Darling ([email protected]) or Prof Matthew Rosseinsky ([email protected]).