Postdocs in atomistic modelling of interface and surface chemistry

We are looking for 2-3 postdocs that are interested in studying materials chemistry relevant  to nuclear power technologies and how to contribute to safety assessments in these systems by means of 1st principles density functional theory calculations. 

Project descriptions
Modeling of safety in the realm of nuclear power generation may be subdivided into the following aspects with related sub-divisions:

1. Materials integrity
• Accident tolerant fuels
• Resilience of load bearing structures to stress corrosion cracking, SCC

2. Radiation build-up mitigation
• In-core formation of CRUD (Chalk River Unidentified Deposit, deposits originally found at the Chalk River laboratories) related to water chemistry on fuel rod claddings
• Radionuclide build-up on out-of-core piping

The aims of the different postdoc projects are (i) to explore Cr base alloy coatings for enhanced resilience of fuel cladding materials under accident conditions, (ii) to gain mechanistic insight regarding essential sensitizing processes that would render load bearing nickel-base alloys prone to stress corrosion cracking in nuclear power applications. and (iii) to provide crucial contributions to the understanding of CRUD formation/dissolution and reprecipitation as well as its enhancing role in radionuclide concentration build-up. The projects are to be conducted in collaboration with experimental groups, at Chalmers and elsewhere, nationally as well as internationally. Specifically, the successful postdocs are expected to collaborate with scientists doing exposure and water chemistry experiments as well as state of the art microscopic analyses, also with parties in industry.

The division and the research group
The postdocs will be part of the group of Prof. Itai Panas at the Division of Energy and Materials at the Department of Chemistry and Chemical Engineering. Our applied theoretical modelling research resides at the interface between chemistry and physics. It contributes to the bridging between theoretical and experimental modelling conducted to understanding real chemical processes at water/oxide and oxide/support interfaces where the supports may include another oxide, nitride, silicide etc or an alloy. The studies focus on temperature dependent spontaneous transformations as well as electron and ions transport. Simultaneously with addressing real-world problems, experience is accumulating on how conduct systematic, robust, purposeful and adequate interface modelling. The overall aim is to contribute detailed understanding-based aspects on power plant design, plant maintenance and favorable operation conditions. The primary tool comprises large-scale density functional theory calculations on main-frame supercomputers. Most of the work is done in collaboration with several national as well as international research colleagues. For further information about our research, please see:

1. https://www.sciencedirect.com/science/article/pii/S0022311520303822
2. https://www.stralsakerhetsmyndigheten.se/contentassets/ebf9cbcf57ee4bf499cde020fefcd10e/on-water-induced-sensitization-of-ni-fecr-alloys-towards-stress-corrosion-cracking-in-lwr-piping-from-1st-principles-modelling
3. https://www.nature.com/articles/s41563-018-0105-6
4. https://www.sciencedirect.com/science/article/pii/S1359645421001890?via%3Dihub

Position summary
Full-time temporary employment. The position is limited to a maximum of two years (1+1).

Qualifications
To qualify for the position, you must have completed a PhD in chemistry or physics specializing in electronic structure calculations and methodologies at the time of appointment. In practice, this means you already have a PhD or you will be finishing your PhD studies in the near future. The degree should generally not be older than three years. 

Experience of atomistic 1st principles modelling on main-frame supercomputers, AI and Machine Learning as well as programming is an asset.

To be successful, you need to be highly motivated, independent, and have high analytical, social, and communicational skills. Highest standards of research ethics are a must. Excellent knowledge of English, written and spoken, is also required. With this set, we offer unique opportunities for top notch basic research pertaining to technologically important materials and career development. 

Chalmers continuously strives to be an attractive employer. Equality and diversity are substantial foundations in all activities at Chalmers.

Our offer to you
Chalmers offers a cultivating and inspiring working environment in the dynamic city of Gothenburg. 
Read more about working at Chalmers and our benefits for employees.

PLEASE READ MORE ANDY APPLY HERE.

Application deadline: 10 July, 2021

For questions, please contact:
Prof Itai Panas,
Energy and materials at Department of Chemistry and Chemical Engineering,
itai@chalmers.se,
phone +46-31-7722860

*** Chalmers declines to consider all offers of further announcement publishing or other types of support for the recruiting process in connection with this position. *** 
   



Chalmers University of Technology conducts research and education in engineering sciences, architecture, technology-related mathematical sciences, natural and nautical sciences, working in close collaboration with industry and society. The strategy for scientific excellence focuses on our six Areas of Advance; Energy, Health Engineering, Information and Communication Technology, Materials Science, Production and Transport. The aim is to make an active contribution to a sustainable future using the basic sciences as a foundation and innovation and entrepreneurship as the central driving forces. Chalmers has around 11,000 students and 3,000 employees. New knowledge and improved technology have characterised Chalmers since its foundation in 1829, completely in accordance with the will of William Chalmers and his motto: Avancez!