First Principles Modelling of Hybrid Perovskites

Applications are invited for a Research Associate (Fixed Term) to perform advanced quantum mechanical modelling of the microscopic properties of hybrid perovskites typified by (CH3NH3)PbI3 and have potential solar cell applications. The aim is to study new derivatives of this material in which the [CH3NH3] cation is replaced by other organic amines of similar size and/or the Pb cation replaced by Bi and similar elements. Extensions to double perovskites of the form ABIBIIIX6 are also of interest. Phase stability, band structure, dielectric and mechanical properties will be calculated. The modelling will proceed in parallel with experimental studies on the same materials being synthesised and characterised in the Functional Inorganics and Hybrid Materials group at Cambridge. The work will be jointly supervised by Prof. A. K. Cheetham and Dr. P. D. Bristowe. The expected start date for this position will be 1 September 2016.

Suitable candidates will have a PhD in condensed matter physics or materials science and have experience with density functional calculations, large scale computing and, preferably, the modelling of perovskites. The calculations will be performed on the HPC system at the University of Cambridge and/or the ARCHER supercomputing service.

For more information about the Atomistic Simulation Group at Cambridge: and for more information about the Functional Inorganics and Hybrid Materials Group:

Please apply to the University of Cambridge online for this vacancy, via This will route you to the vacancy and the University's Web Recruitment System, where you will need to register an account (if you have not already) and log in before completing the online application form. Applications should include a covering letter, CV and publications list. Scientific queries should be addressed to Dr Paul Bristowe (

Please quote reference LJ09409 on your application and in any correspondence about this vacancy. Closing date is 20 July 2016. Salary range is £28,982 - £37,768. The funds for this post are available for 12 months in the first instance.