Postdoctoral research associate in computational modelling of electrochemical interfaces at the nanoscale

Closing date: 31 August 2020

Salary Range: £40,215 – £47,579 plus benefits (depending on skills and experience­)
Duration: two years, extensible under mutual agreement

Reference: NAT00717

Essential requirements: In-depth prior knowledge of DFT, electronic structure theory and/or molecular dynamics techniques. Having experience in using and/or developing CP2K code will be considered an advantage.

You will focus on applying and developing novel theoretical and computational methodology based on first principles to understand fundamental electrocatalytic phenomena at electrified interfaces of interest for energy and nanotechnology (e.g. water splitting). You will use a combination of state of the art and newly developed techniques, including ab-initio molecular dynamics and potential / free energy techniques. You will also benchmark and pioneer the non-equilibrium MD methods which are being developed within the group and may carry out minor implementation activities.

The post is funded through a prestigious multidisciplinary EPSRC Fellowship project<>, to develop and apply new theoretical and computational methodologies for the ab-initio simulation of electrochemical materials and processes at the nanoscale, under operating conditions.  At Imperial College London, Department of Chemistry, in the group of Dr. Clotilde Cucinotta

To apply you will need to complete an online application following the link below: and include a cover letter, a motivation statement (300 words max), a CV and the contact details of at least two referees.


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