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Research Fellow in electronic structure method development for the multi-scale modelling of batteries

Computational Systems Chemistry

Location:  Highfield Campus
Salary:   £29,799 to £36,613 per annum
Full Time Fixed Term for 18 Months with potential to extend to 3 years
Closing Date:  Friday 27 April 2018
Interview Date:   To be confirmed
Reference:  996118EB

Postdoctoral Research Associate position in linear-scaling electronic structure method development for the multi-scale modelling of batteries

The University of Southampton, a leading Russell 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 coupling linear-scaling electronic structure with coarser models for the multi-scale modelling of batteries. This major initiative, spanning three faculties, builds on the long-standing reputation of the University in the field and is fully integrated with national activities. 

This project is part of the large interdisciplinary Multi-Scale Modelling consortium on batteries within the new 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 with the ONETEP code. The project will be on the development of theory and code for hybrid methods 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 will also 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, classical mechanics and solvent models for simulations of materials, surfaces and molecules. 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.

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

Applications 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 completion of PhD. Prior to the qualification being awarded the title of Senior Research Assistant will be given.

For this post, you will have excellent team-working and communication skills, enjoy a challenge and thrive in a fast-paced and dynamic environment and a commitment to work with colleagues in other fields and institutes. Experience in battery research, experimental and/or theoretical, would be advantageous. 

The position is tenable as soon as possible, initially for 18 months, with opportunity to extend to up to three years.

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 Matt Saxby (Recruitment Team) on +44 (0) 23 8059 3462. Please quote reference 996118EB on all correspondence.

Please note: The University will be closed from close of business on Thursday 29th March to Thursday 5th April2018, so we will not be able to assist you with any application queries during this time.

Athena SWAN Bronze Award holder: Faculty of Engineering and the Environment 

The closing date for this job opportunity has now passed, and applications are no longer being accepted for this position

Further details:

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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