Research Fellow in Computational Systems Chemistry University of Southampton - Computational Systems Chemistry United Kingdom

Research Fellow

Computational Systems Chemistry


Location:  Highfield Campus
Salary:   £30,395 to £37,345 per annum
Full Time Fixed Term (until the 31/03/2021)
Closing Date:  Friday 26 April 2019
Interview Date:   To be confirmed
Reference:  1114519EB-R


The University of Southampton, a leading Russel Group University located on the south coast of the UK, invites applications to fill one postdoctoral Research Associate position in the area of developing methods within linear-scaling electronic structure for the multi-scale modelling of batteries. 


This project is part of the large interdisciplinary Multi-Scale Modelling consortium on batteries within the Faraday Institution ( ) with strong links to continuum modelling work, and to experimental structural and electrochemical studies. It will be based in the Skylaris research group (Chemistry) to work on linear-scaling first principles quantum mechanical methods within the ONETEP code. The project will involve the development of theory and code for models describing the electrolyte-containing solvent and its interaction with electrode interfaces at increasing levels of sophistication. Subsequent developments may include advanced methods for treating electron-ion transport through different electrode materials. These models will be used to perform simulations to provide data for coupling quantum mechanics to coarser levels of description, from atomistic to continuum, for new multiscale capabilities that will underpin simulations from atoms to entire battery stacks. This position will involve collaboration with other consortium members in Southampton and other institutions to test and deploy the new methods so they can be used in exemplar large-scale simulations of battery electrode materials and interfaces to study processes such as transport and intercalation of ions, degradation mechanisms and solvent effects. 


Candidates should have a PhD in computational chemistry or condensed matter theory and demonstrated research excellence through publications in the development and application of DFT. They should also have excellent team-working and communication skills, enjoy a challenge and thrive in a fast-paced and dynamic environment. A commitment to work together with colleagues in other fields and institutes and with industrial collaborators is a pre-requisite. The position is available immediately until the end of March 2021.


Potential applicants are advised to contact Prof Chris-Kriton Skylaris  ( for more details.


Applications for Research Fellow positions will be considered from candidates who are working towards or nearing completion of a relevant PhD qualification.  The title of Research Fellow will be applied upon successful completion of the PhD.  Prior to the qualification being awarded the title of Senior Research Assistant will be given.


Application procedure:


You should submit your completed online application form at The application deadline will be midnight on the closing date stated above. If you need any assistance, please call Elsa Samwell (Recruitment Team) on +44 (0) 23 8059 2507.  Please quote reference 1114519EB-R on all correspondence.


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We aim to be an equal opportunities employer and welcome applications from all sections of the community. Please note that applications from agencies will not be accepted unless indicated in the job advert.

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