PhD Position in Computational Electrocatalysis – DTU Physics

Are you an outstanding PhD candidate specializing in computational electrocatalysis? Join our innovative team at the Technical University of Denmark (DTU) and contribute to pioneering research in the field of computational catalysis.

About the Project

The PhD project aims to employ state-of-the-art quantum simulation techniques, Density-Functional-Theory (DFT), Ab Initio Molecular Dynamics (AIMD), and Machine Learning (ML) tools to develop theoretical electrocatalytic frameworks. This project challenges existing research on catalysis, pushes the boundaries of fundamental catalysis, and approaches the next generation of selective renewable reactions.

Group and Research Environment

You will join the newly established Computational Catalysis group led by Ass. Prof Alexander Bagger at DTU, located on the outskirts of Copenhagen. Our group focuses on developing predictive models and schemes for new reactions and materials in close collaboration with experimental groups at DTU and leading universities globally. We are part of the Catalysis Theory Center (CatTheory), which spans the Department of Physics and the Department of Energy Conversion and Storage at DTU, providing robust infrastructure and computational facilities.

Responsibilities and Qualifications

The successful candidate must have a Master’s degree in physics, chemistry, chemical engineering, materials science, or related fields, along with experience in catalysis for sustainable energy solutions. Key qualifications include:

• Background and interest in catalysis for fundamental understanding.
• Experience in electrocatalysis and sustainable energy conversion applications.
• Proficiency in Python programming and knowledge of density functional theory codes.
• Preferable experience in academic cross-disciplinary collaboration and knowledge of statistical and machine learning methods.

Communication skills in English, both written and spoken, are essential. Innovation, independence, and the ability to work in cross-disciplinary teams and with international collaborators are highly valued.

Approval and Enrolment

The PhD scholarship is subject to academic approval, and the candidate will be enrolled in one of DTU’s general degree programmes. For more information about enrolment requirements and the PhD study programme, please visit DTU's PhD education rules.

We Offer

DTU is a globally recognized technical university celebrated for its excellence in research, education, innovation, and scientific advice. We offer a challenging and rewarding position in an international atmosphere that values academic freedom and responsibility. Salary and terms of employment will be based on the Danish Confederation of Professional Associations’ collective agreement, with a 3-year employment period.

Application Procedure

Submit your comprehensive online application by 15 August 2024 (23:59 Danish time). Include all materials in English in one PDF file:

• Application/Cover Letter (1 page)
• CV (2 pages)
• Grade transcripts and BSc/MSc diploma (in English) with an official description of the grading scale

You may apply before obtaining your Master’s degree, but cannot commence until it is received. Late applications will not be considered.

Contact and Further Information

For further information, reach out to Assistant Professor Alexander Bagger (). Learn more about DTU Physics at . Candidates applying from abroad can find useful information on working in Denmark and at DTU at . Join our monthly "PhD relocation to Denmark and startup" Zoom seminar for queries about moving to Denmark and working as a PhD at DTU.

Equal Opportunity Employer

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

About DTU

DTU develops technology for people, addressing global challenges aligned with the UN’s 17 Sustainable Development Goals. Founded by Hans Christian Ørsted in 1829, DTU continues to promote the intersection of science and societal benefit. With 13,400 students and 5,800 employees, DTU offers an inclusive, evolving, and informal working environment across its campuses in Denmark and Greenland, working with top universities worldwide.