Researcher in Solid State Physics - Theoretical modelling of catalyst and solar cell materials

Published: 2022-11-08

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The Department of Solid State Physics is part of the Department of Materials Science and Engineering at the Ångström Laboratory. The research is related to energy and environmental issues as well as to life sciences applications in our various research areas. Preferably, we investigate the physical and chemical properties of nanomaterials and new materials that can be utilized as thin film for smart windows, solar cells, gas sensors, spin electronics and biomagnetic applications, as well as catalytic and photocatalytic coatings to create new applications in green energy technology. Information about the Solid State Physics Division is available at: https://materialvetenskap.uu.se/research/solid-state-physics+/

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Project description
The project, which is the second part of an ongoing H2020 project, is about developing and studying new materials for efficient catalysis of ammonia. Here, both materials for the reduction of nitrogen for the production of ammonia and materials for electrolysing ammonia to generate electricity in a fuel cell will be studied. Special focus will be on high entropy alloys and their surface properties. Quantum mechanical calculations for solar cell materials based on perovskites will also be included. The work in the project offers an opportunity for scientific collaborations with world-leading groups in both basic science and applied research in electrocatalysis and solar cell materials.

Duties
The tasks mainly involve using density functional theory (DFT) for the theoretical description of multi-element and high-entropy alloy systems, and using linear-response DFT to analyze the theoretical vibrational energies in comparison with experimental spectra from Raman spectroscopy. The work also includes developing models with machine learning and neural networks to compare the different high entropy alloys. For calculations within perovskite materials with the heavier elements, DFT calculations with spin-orbit coupling and models that include exciton behavior will be used. There will be access to computing time on both local clusters and national supercomputer centers.

Requirements
For employment as researcher, you must have a doctoral degree, or a foreign degree that is deemed to correspond to a doctoral degree. For this position, a PhD in physics, materials chemistry, or physical chemistry with previous good experience in DFT is required. We also require good knowledge and documented experience  in DFT that includes machine learning and the use of neural networks and also previous experience in experimental activities related to the measurement and evaluation of catalytic efficiency for high entropy alloys. We require good knowledge in written and spoken English. We require the ability to work focused, structured and with foresight, both individually and in groups, and to be able to collaborate in a transdisciplinary environment with colleagues both inside and outside the department.

Instructions for application
Your application must contain:

• An introductory letter describing you, your understanding of the task, and motivating why you are appropriate for this position (max 2 pages)
• CV (max 2 pages)
• Copies of your PhD exam, course grades and other relevant credits
• A list of publications
• Copies of your three most relevant publications or manuscripts
• Names and contact details (address, e-mail address and telephone number) of at least two reference persons

The application can be written in English or Swedish. 

About the employment
The employment is a permanent position. Scope of employment 100 %. Starting date as soon as possible or as agreed upon. Placement: Uppsala

For further information about the position please contact: Professor Tomas Edvinsson, [email protected]

Please submit your application by 28th November 2022, UFV-PA 2022/3832

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Submit your application through Uppsala University's recruitment system.

Placement: Department of Materials Science and Engineering

Type of employment: Full time , Permanent position

Pay: Individual salary

Number of positions: 1

Working hours: 100%

Town: Uppsala

County: Uppsala län

Country: Sweden

Union representative: Seko Universitetsklubben [email protected]
ST/TCO [email protected]
Saco-rådet [email protected]

Number of reference: UFV-PA 2022/3832

Last application date: 2022-11-28

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