Postdoctoral Research Associate in Computational Materials Chemistry

Updated: over 1 year ago
Location: Oxford, ENGLAND
Deadline: 09 Sep 2022

Applications are invited for a Postdoctoral Research Associate in Computational Materials Chemistry to work under the supervision of Professor Volker Deringer for a period of two years in the first instance.

The project involves the development of a comprehensive framework for describing and fitting potential-energy surfaces, using a combination of supervised and unsupervised machine-learning (ML) techniques. The postholder will drive the development of new general-purpose ML potential models to accelerate the atomic-scale modelling of structurally complex functional materials.

This project will be supported by a UKRI Frontier Research grant.


Find out more about our research

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Applicants must hold a PhD in chemistry, physics, materials science, or a related subject area (or be close to completion) prior to taking up the appointment. The research requires experience in the development of interatomic potential (“force field”) models for atomistic simulations, broadly defined. Experience with machine-learning-based interatomic potentials is an advantage. The postholder will be expected to manage their own research and administrative activities, involving small-scale project management, and the coordination of multiple aspects of work to meet deadlines.

The post will be based in the Department of Chemistry, Inorganic Chemistry Laboratory, South Parks Road, Oxford and is available as soon as possible.

You will be required to upload a supporting statement and CV as part of your online application. Your supporting statement needs to explain, with evidence, how your profile fits the selection criteria (it is recommended to provide this information as an itemised list). Please provide the names and contact details of two referees, but do not submit references at this stage.

The closing date for applications is 12.00 midday, Friday, 9 September 2022. Interviews will be held as soon as possible thereafter.


The University of Oxford is a Bronze Athena SWAN holder and the Department of Chemistry is a Silver award holder. Applications are particularly welcome from women and black and ethnic minority candidates, who are under-represented in Chemistry research posts in Oxford.



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