Research Fellow in Computational Chemistry and Machine Learning

Applications are invited for a Research Fellow to work in the group of Dr Tim Hele in the Department of Chemistry at University College London. The post is funded through an Enhancement Award to Dr Hele’s Royal Society University Research Fellowship Designer lighting: a radical approach to improve organic solar cells and light-emitting diodes. This proposal aims to design molecular emitters for organic light-emitting diodes with emission throughout the visible and infra-red, to model the non-adiabatic dynamics of such systems and to design molecules for singlet fission downconversion. There are further aims of using Machine Learning and AI to accurately and reliably predict the spectra of organic radicals containing a variety of heteroatoms to extend the computational methodology to systems with multiple unpaired electrons such as diradicals, and to simulate the emission mechanism of organic light-emitting diodes. The appointment is available to start imme diately and in the first instance runs until 30th September 2025. Subject to funding and funder approval it may be extended to a duration of up to 28 months. Some parts of the role can be undertaken remotely if necessary and the postholder will be required to work onsite at least one day a week. 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 £37,332 to £39,980 per annum) with payment at Grade 7 being backdated to the date of final submission of the PhD thesis.

The successful candidate will have a PhD degree (or be about to be awarded a PhD) in Chemistry, Physics, or similar subject. A knowledge of quantum mechanics and electronic structure theory, as well as using quantum chemical methods for excited state calculations is required, as well as experience with HPC and programming. Experience with python programming, radical electronic structure and non-adiabatic dynamics is desirable. They will be expected to work in a highly multidisciplinary collaborative team and have effective verbal and written communication skills in English.

A full Job Description, Person Specification and details regarding infomral enquiries can be accessed by clicking 'Apply'. Please include a publication list and a CV, along with a cover letter outlining why you are interested in the role, and which of the essential and desirable criteria you meet and how.

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