Postdoctoral Position in Theoretical and Computational Chemistry, Oxford, UK

Postdoctoral Position in Theoretical and Computational Chemistry/Condensed Matter Physics Department of Chemistry, University of Oxford, UK.

Applications are invited for a postdoctoral research associate to perform theoretical and computational modelling of singlet fission in carotenoid aggregates under the supervision of Prof William Barford.

This post is part of an EPSRC-funded three-year joint research project with Dr Jenny Clark (Physics, University of Sheffield) and Prof Neil Hunter (Biochemistry, University of Sheffield) which involves the synthesis of carotenoid aggregates, the photophysical characterisation via ultrafast spectroscopy, and the modelling of singlet fission.

The post in Oxford will involve:
(i)  Developing theoretical models of carotenoids that incorporate both electronic interactions and electron-phonon coupling (e.g., the UV-Hubbard-Peierls model).
(ii)  Developing and using computer programs that perform time-dependent DMRG (or equivalent) calculations to solve these models.
(iii)  Extending these calculations to other pi-conjugated systems, e.g., polydiacetylene and polyacenes.
(iv)  Collaborating with the experimental groups in Sheffield.

You should have a PhD in theoretical/computational chemistry or theoretical condensed matter physics (or have submitted a PhD thesis prior to taking up the appointment). You should also have good computational and analytical skills, and preferably experience of HPC.

This is a three-year post, to start on 2nd January, 2019 (or as soon as possible thereafter). The salary is £31,604-£38,833 pa. The post will be based in the Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford.

For more information, please email

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