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Postdoctoral positions in development of linear- ... (No replies)

6 months ago
Skylaris 6 months ago

The University of Southampton, a leading Russell Group University located on the south coast of the UK, invites applications to fill three Research vacancies in the area of 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. 

Specifically, we have opportunities for world-class talent to:

  • join the Skylaris research group (Chemistry) to work on linear-scaling quantum mechanical methods with the Order-N Electronic Total Energy Package(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 using the methods developed to contribute to exemplar simulations of battery electrode materials and interfaces at much larger scales than accessible up to now to study processes such as transport and intercalation of ions, degradation mechanisms and solvent effects.

  • join the Kramer research group (Materials) to work on coupling First Principles methods with thermodynamic frameworks to design battery materials, especially their surfaces and interfaces. This will involve atomistic and computational investigation of bulk, surface and sub-surface properties of battery materials. The objective is to rationally design surface treatments to tailor surface processes in Li-Ion batteries but also touching on electrolyte effects. There is also opportunity to contribute in the area of predicting the phase behaviour of defective correlated oxides with a view to understand, detect, and predict degradation of active materials.

  • join the Richardson research group (Mathematics). This project will focus on the development of mathematical methods and numerical software to solve multiscale models of lithium ion battery behaviour being developed in this multi institutional project. This will require high level expertise in the numerical solution of partial differential equations (PDEs) and the ability to develop, and code, efficient numerical algorithms to solve model equations. You will have the ability to interact with other modelling groups and package their software in an easily usable format.

The positions are tenable from 1 March 2018, initially for 18 months, with opportunity to extend to up to three years subject to funding.

Depending on your project(s) of interest, you are advised to contact Professor Chris-Kriton Skylaris ([email protected]), Dr Denis Kramer ([email protected]) or Dr Giles Richardson ([email protected]) for additional information before submitting your application.

Information on how to apply can be found here (application deadline 5 February 2018):

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Ab initio (from electronic structure) calculation of complex processes in materials