Research Fellow in Computational Photocatalysis

UCL Department / Division: Chemistry

Salary (inclusive of London allowance) £35,328 to £42,701 per annum

Closing date 27 May 2019

Duties and Responsibilities

Applications are invited for a Research Fellow to work in the group of Dr. Martijn Zwijnenburg, alongside the groups of Dr. Furio Cora and Dr. Ben Slater, in the Department of Chemistry at University College London. The post is funded through a prestigious EPSRC Programme Grant, to work in a multidisciplinary team to develop new integrated computational and experimental approaches to the discovery of new inorganic, hybrid and organic materials and identify new materials in energy, information processing, catalysis.

The postholder will focus in particular on the study of photocatalytic processes by computational chemistry methods. They will computationally screen new (polymeric) photocatalysts for water splitting, while colleagues in Liverpool will synthesize the best leads predicted and test their activity. Specific activities will include the calculation of the optical and photocatalytic properties of polymers using advanced electronic structure methods (TD-DFT, CC2, CASSCF, CASPT2, BSE, deltaSCF, GW) and the acceleration of screening by exploration of low-cost alternatives to such methods.

The appointment is funded through the EPRSRC and is initially for one year.


Key Requirements

The successful candidate will have a PhD degree (or be about to be awarded a PhD) in Chemistry, Physics, or Materials Science, in depth knowledge of quantum chemical methods for excited state calculations, electronic localisation and/or electronic transport, working knowledge of organic/polymeric compounds, and experience with programming in Python and computational high-throughput screening of materials. They will be expected to work in a highly multidisciplinary collaborative team, and have effective communication skills.

Please note, appointment at Grade 7 is dependent upon having been awarded a PhD; if this is not the case, initial appointment will be at Research Assistant Grade 6B (salary £30,922 to £32,607 per annum) with payment at Grade 7 being backdated to the date of final submission of the PhD thesis.


Further Details

A Job Description and Person Specification can be accessed at:

Where one can also apply for the job. Please include a publication list along with a CV.


Informal enquiries should be addressed to Dr. Martijn Zwijnenburg ( Any queries on the application process can be directed to Judith James –



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