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Postdoc position in atomistic modelling of elect ... (No replies)

cz302
4 years ago
cz302 4 years ago

Subject description and work duties: The main duties involved in a post-doctoral position is to conduct research. Teaching may also be included, but up to no more than 20% of working hours.

The present research project concerns modelling electrified oxide materials for applications in electrochemical energy storage. The surface of metal oxides in aqueous solutions is electrified in working conditions due to the acid-base chemistry and composed of protonic electric double layer. Given the importance of metal oxide nanostructures in various practical applications, surprisingly little is known about the relationship between the atomic structure of protonic double layer and the interfacial reactivity. Therefore, the focus of this project will be on i) the further development of finite field methods for modelling electric double layer at aqueous interfaces (https://doi.org/10.1088/2515-7655/ab9d8c); ii) the application of finite field methods for modelling electrochemical supercapacitors. The work will be done in connection to a larger project funded by European Research Council (ERC).

This position will be located within the Computational Materials Chemistry (CMC) group as a part of the structural chemistry program at Uppsala University.

Requirements: For employment as postdoc, the applicant should have obtained a PhD or an international equivalent degree within the field of polymer chemistry or other for the position relevant field, within a maximum of three (3) years before the start of the employment. During certain circumstances, an earlier PhD can be acceptable, including leave due to illness, maternity leave etc. 

Applicants should have a good knowledge and practical experience of density functional theory (DFT) calculations and molecular dynamics (MD) simulations of condensed phase systems. Applicants should have very good oral and written proficiency in English.

The assessment of applications is based primarily on the applicant's ability to conduct independent research based on scientific skill. Greater importance is attached to the quality of individual scientific work, than to the amount of publications.

Consideration will also be given to good collaborative skills, drive and independence, and how the applicant’s experience and skills complement and strengthen ongoing research within the department, and how they stand to contribute to its future development.

Additional requirements: Experience with CP2K suite of programs (www.cp2k.org) for modelling heterogenous catalysis, solid-liquid interfaces and energy storage materials will be a big plus.

For further information about the position please contact: Chao Zhang, +46 18 471 37 21, [email protected]

Type of employment: Temporary position for two years.

Starting date: 2021-01-01 or as otherwise agreed.

To apply: https://uu.varbi.com/en/what:login/type:job/jobID:358527




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