Postdoctoral Researcher in Computing Modelling of Battery Cathode Materials
University of Oxford – Rex Richards Building · United Kingdom
Postdoctoral position in computational modelling of lithium battery cathode materials at the University of Oxford. Work focuses on structural and transport properties of Li-rich three-dimensional cathodes using density functional theory, molecular dynamics, and machine learning. Requires prior experience in atomistic modelling of battery or energy materials and a strong publication record.
This opportunity has closed.
About this opportunity
The Faraday Institution has funded a research consortium project entitled “Accelerated Development of Next Generation Li-Rich 3D Cathode Materials (3D-CAT)”.
This collaborative project between Oxford Materials (Prof Robert House (PI), Prof Saiful Islam , Prof Sir Peter Bruce), and UCL Chemical Engineering (Dr Rhod Jervis ) brings together expertise in battery materials synthesis and device fabrication, advanced characterisation and materials modelling.
The overall ambition for this project is to carry out multidisciplinary research that will explore Li-rich three-dimensional cathodes free from Co and Ni and with energy densities exceeding LMFP and competitive with NMC.
A postdoctoral research position is now available on this 3D-CAT project in the area of computer modelling and materials design of lithium battery cathodes within the group of Professor Saiful Islam in the Department of Materials at the University of Oxford. The research programme at Oxford will investigate structural, redox, transport, and interface properties of Li-rich three-dimensional materials (including disordered rock salts) for lithium battery cathodes using advanced computational techniques based on density functional theory, molecular dynamics, cluster expansion, and machine learning.
This work will have strong links to the experimental synthesis, diffraction and electrochemical work performed in the overall project.
Previous experience in atomistic computer modelling of lithium battery materials or related energy materials and a recent track record of peer-reviewed publications are essential.
The position is available from 1st December 2026 or shortly thereafter and ends on 30th September 2028.
Group website with research details:
Prof Saiful Islam: https://www.materials.ox.ac.uk/peoplepages/islam.html
How to Apply
All applications must be made online using the Oxford University E-Recruitment system, no later than 12.00 midday on 20 October 2026 . You will be required to upload a CV and a one-page Supporting Statement as part of your application .
This one-page statement should include three short sections:
(a) list of simulation codes used
(b) your top three publications
(c) previous experience in battery materials or energy materials modelling.
Please do not attach any manuscripts, papers, transcripts, mark sheets or certificates as these will not be considered as part of your application.
Only applications received online by 12.00 midday (GMT/BST) on Tuesday 20 October 2026 can be considered.
Next Steps
Interviews are scheduled to take place at the Department of Materials on 3rd November 2026 and you must be available on this date, either in person or online (Teams, Zoom). In line with internal policy, interview travel expenses within the UK will be reimbursed.
Eligibility
Not specified by the source
Academic requirements
Not specified by the source
English language requirements
Not specified by the source
How to apply
Not specified by the source