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Posdoctoral position @Imperial in computational ... (No replies)

cucinotta
2 years ago
cucinotta 2 years ago

A Research Associate position is available immediately in the Computational NanoElectrochemistry group at Imperial College London

Duration: 13 months, with possibility of extension up to April 30th 2024.

Application deadline: November 10th 2022

Please follow the link below to apply and for more info

https://www.imperial.ac.uk/jobs/description/NAT01297/research-associate-computational-modelling-electrochemical-interfaces-nanoscale

This position is in the framework of a multidisciplinary project funded by EPSRC, on developing and applying new theoretical methodologies to enable the realistic modelling of electrochemical systems in operando. Our team works in parallel to (i) develop the theoretical and computational tools to simulate electrified interfaces under potential control (i) understand fundamental electro-catalytic phenomena at electrified interfaces for energy and nanotechnology (ii) unravel fundamental current and bias induced effects at nanointerfaces.

You will work on the theoretical modelling of fundamental phenomena within the double layer of electrified metal-water interfaces under potential control. Main focus will be on thermodynamics and kinetics of electrocatalytic processes underlying energy conversion and corrosion. You benchmark and pioneer the techniques newly developed by the group and may carry out some code development activities. You will be closely interacting with the rest of the group and main developers of Smeagol and CP2K codes.

Previous knowledge and/or experience with modelling electrified interfaces, DFT based molecular dynamics, potential and free energy methods, as well as use/development of CP2K code is desirable.

Cheers,

Clotilde

 




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