Research Fellow, Linear-scaling Electronic Structure Method for Multiscale Battery Modelling


£29,799 to £36,613 p.a.

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.

Further details and apply here.