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Ph.D. student position at NTNU and Uni Iceland: ... (1 reply)
Application deadline 18.3.2019
Applications submitted via email will not be considered.
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A PhD candidate position is available at the Department of Physics in the Faculty of Natural Sciences and Technology at the Norwegian University of Science and Technology (NTNU). The appointment has a duration of 3 years with the possibility of 1-year extension with 25% teaching duties in agreement with the department. The position includes a close collaboration with the University of Iceland (Faculty of Sciences) with extended research visits and it offers joint doctoral degrees in both institutions.
We seek a candidate with a strong theoretical background in condensed matter physics / physical chemistry as well as expertise in electronic structure calculations and programming. The candidate should contribute actively to the bilateral project of the two universities by carrying out DFT simulations of basic electrochemical reactions and participating in method development. The project objectives are threefold: (i) Better understanding of basic electrochemical reactions relevant for renewable energies (fundamental science), (ii) contributing in materials design for better catalyst materials - in particular in terms of platinum-replacement (sustainability), and (iii) methodology development to incorporate the effects of applied voltage and the presence of electrolyte in reaction modelling.
The position considers electrochemical simulations at the DFT level by using existing software packages and focuses on the following aspects:
Properties of electrode / nanoparticles interface (catalyst)
Mapping of molecular adsorption on catalyst model structures and search for descriptors
Reaction path modelling of CO2 reduction and coupling this information with the descriptors
Method development / testing will be carried out for a better description of the electrode/electrolyte interface to include external fields and the presence of the solvent (e.g. by polarizable force field embedded in a QM/MM scheme). In the first place, the benchmark reactions are HER and OER. In addition, the candidate will participate in the development of machine learning algorithms for descriptor-based materials screening as well as automization work flows and scripts for high-throughput simulations.
See the full advertisement under:
https://www.jobbnorge.no/en/available-jobs/job/165475/phd-candidate-at-ntnu-and-university-of-iceland
The position reports to Prof. Jaakko Akola at NTNU and Prof. Hannes Jónsson at Uni Iceland.