Department of Materials, Central Oxford A postdoctoral research position is available in the area of computer modelling of new materials for next-generation photovoltaics within the group of Professor Saiful Islam in the Department of Materials at the University of Oxford. This position is part of an EPSRC/UKRI-funded Programme Grant entitled “Advanced Device Concepts for Next-Generation Photovoltaics.” This collaborative project between Oxford Physics, Materials and Chemistry and Liverpool Chemistry brings together expertise in photovoltaic (PV) materials synthesis and device fabrication, advanced characterisation and materials modelling. The ambition for this project is to carry out multidisciplinary research that will explore four new photovoltaic device concepts, enabling the next major step-change in PV efficiency. New device architectures, concentrator PV, quantum cutting, hot-carrier collection and photon transport, will be explored and enabled by absorber materials based on halide perovskites and novel semiconductors, supported by experimental characterisation and materials modelling. Addressing these future advanced concepts through a multidisciplinary approach will enable key scientific discoveries and important major technical advances enabling the next generation of PV technologies for beyond 2030. The new postdoctoral research position will use materials modelling techniques (DFT, molecular dynamics, machine learning potentials) to investigate the most pressing areas of fundamental understanding which are currently lacking and need to be overcome in order for the four PV device concepts to be optimized. The modelling findings on a range of properties (including structural, defect, electronic, ion transport, surfaces) and will link up with parallel experimental activities. Applicants should have a PhD in chemistry, physics or materials science. Previous experience in computational materials science and a track record of peer-reviewed publications are essential. A background in the modelling of photovoltaic materials would be highly beneficial. The ability to work within a mutli-disciplinary research group will also be important. The 24 month position is available from March 2026 or shortly thereafter. All applications must be made online using the Oxford University E-Recruitment system, no later than 12 noon on 21 November 2025.