Postdoc: Computational Expansion of a Sustainable Tomorrow; Electrocatalytic CO2 reduction – DTU Physics

In this project, you will take your talent in using modeling tools to go in a, much needed, radical new direction than previous for CO2 electroreduction. You will expand the scope to uncharted reaction environments and conditions to enable sustainable electrochemical production of liquid ≥C4 carbon chain products. Using bold approaches outside the typical electrocatalysis mindset we aim at controlling the reaction to provide insights far beyond “standard” CO2 electroreduction on Cu.
Near ambient temperature CO2 electrolysis is an emerging approach for providing a sustainable production of carbon-based molecules for application in the chemicals industry, aviation, and shipping fuels. Over the last decade, an incredible amount of research has been carried out in this field. However, state-of-the-art electrocatalysis is limited to mainly C2 products from a Cu catalyst in an aqueous environment.

In this project, you will take your talent in using modeling tools to go in a, much needed, radical new direction than previous for CO2 electroreduction. You will expand the scope to uncharted reaction environments and conditions to enable sustainable electrochemical production of liquid ≥C4 carbon chain products. Using bold approaches outside the typical electrocatalysis mindset we aim at controlling the reaction to provide insights far beyond “standard” CO2 electroreduction on Cu.

This project will be part of a larger center called CAPex where you will have direct experimental collaborations working side-by-side with you to develop revolutionary research on electrochemical CO2 reduction. CAPex is a highly interdisciplinary center integrating automation, catalysis, material characterization, and power electronics all focused towards Power-to-X based sustainable solutions. To find out more please visit the CaPex website.

The position is one of the open positions in the 2024 CAPeX PhD cohort call. CAPeX is a 13-year and 300 MDKK “Pioneer Center for Accelerating P2X Materials Discovery”, funded by Danish Ministry of Higher Education and Science, the Danish National Research Foundation, the Carlsberg Foundation, the Lundbeck Foundation, the Novo Nordisk Foundation, and the Villum Foundation. CAPeX is hosted by the Technical University of Denmark (DTU) and co-hosted by Aalborg University (AAU), and unites leading experts from DTU, AAU, University of Copenhagen, Aarhus University, and the University of Southern Denmark with international partners from Stanford University, Utrecht University, and the University of Toronto to form a truly Pioneering Center on P2X. You can read more about the CAPeX research themes and X-trails, our organization, and the other open PhD and postdoc cohort positions at www.capex-p2x.com.

Responsibilities and Qualifications
The successful candidate must have a PhD in computational physics, chemistry, chemical engineering, materials science, or related areas as well as experience in the general area of catalysis for sustainable energy solutions. The candidate must display good communication skills in English, both written and spoken, be innovative and able to work both independently and in cross-disciplinary teams. Quality in research is the core principle in which we strive for, thus a strong fundamental scientific approach and knowledge base is essential.

Successful candidates should document:

• Experience working with electronic structure codes, Density-Functional-Theory (DFT).
• Programming skills (preferable with python).
• An interest in (electro-)catalysis and applications in sustainable energy conversion.
• Preferably a track record of academic cross-disciplinary collaboration.
• A strong background in, and an innovative approach to, catalysis theory relevant for fundamental understanding as well as the application potential of new insight

While we do not expect a candidate to have all these experiences, one must be comfortable around theory, analysis, and programming tools and an open & rapid learner.

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

The CatTheory section of DTU Physics, which is where this work will primarily take place, consists of 4 professors and approximately 20 PhD’s and postdoc with the overarching theme of computational catalysis, thus there will be a large number of colleagues to work with and gain expertise from. Additionally, the CatTheory section has a close collaboration with the SurfCat section of DTU Physics, who focuses on experimental catalysis. Thus, continuous colla developing between these 2 sections.

Salary and appointment terms
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. The position will be time limited one or two years. Starting date is as soon as possible. The position is full-time.

Further information
Should you have any queries regarding the positions, please contact Asst. Prof Alexander Bagger [email protected].

For further information about the research at CaPeX visit: www.dtu.dk/capex.

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark.

Application procedure
Your online application must be submitted no later than 9 June 2024 (23:59 Danish time). Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply online," fill in the online application form, and attach all your materials in English in one PDF file. The file must include:

• A letter motivating the application (cover letter (Max one page))
• Curriculum vitae including employment history, list of publications, H-index and ORCID (see http://orcid.org/)
• Academic Diplomas (MSc/PhD)
• List of publications

Applications and enclosures received after the deadline will not be considered.

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.

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