A postdoctoral position is available in the Skylaris group at the University of Southampton to work on linear-scaling 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 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. 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.

This is part of a large multi-institution project funded by the new Faraday Institution, which involves three postdoctoral Research Associate vacancies in the area of multi-scale modelling of batteries within Southampton. This major initiative, spanning three faculties, builds on the long-standing reputation of the University in the field and is fully integrated with national UK activities.

Candidates should have excellent team-working and communication skills, enjoy a challenge and thrive in a fast-paced and dynamic environment. A commitment to work with colleagues in other fields and institutes is a pre-requisite. Appointments will be initially for one year with opportunity to extend to up to three years.

Potential applicants are encouraged to contact Prof Chris-Kriton Skylaris  ([email protected]), for additional information before submitting their applications.

Please apply via the following link:

https://jobs.soton.ac.uk/Vacancy.aspx?ref=950717BX

Application deadline: 5 February 2018