PhD Scholarship in Computational Design of Electrocatalysts for Co2 Reduction

Technical University of Denmark, Denmark has an opening PhD position in sustainable development. The funds for this position are available for 3 years. Applications should be sent before May 24, 2020.

The Section for Atomic Scale Materials Modelling at DTU Energy, Technical University of Denmark (fully funded Denmark scholarships) (DTU), invites applications for a PhD scholarship in computational design of electrocatalysts for CO reduction.

is part of the Villum Center for the Science of Sustainable Fuels and Chemicals (V-SUSTAIN), which brings together researchers from the Technical University of Denmark, Stanford University, University of Copenhagen, and University of Southern Denmark, among others.

The successful candidate will use atomic-scale simulation techniques like Density Functional Theory (DFT) to elucidate the fundamental reaction mechanisms and active sites of the electrochemical reduction of CO . The DFT calculations will be combined with computational approaches such as machine learning, cluster expansion and genetic algorithms to design promising new catalysts structures and compositions in more realistic environments, e.g. in solution. The project will be carried out in close collaboration with experimental groups in the Villum Center V-SUSTAIN and linked to other ongoing computational projects in the section working on electrocatalyst design and materials modelling.

Candidates should have a two-year master’s degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master’s degree. We favour candidates with a degree in physics, chemistry or materials science or a similar degree with an academic level equivalent to a master’s degree in engineering. Experience with computational/theoretical physics, chemistry or related areas are an advantage.

The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see the DTU PhD Guide.

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 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 period of employment is 3 years.

Further information may be obtained from Professor Tejs Vegge at or Associate Professor Heine A. Hansen at Please do not send applications to these e-mail addresses, instead apply online as described below.

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link “Apply online”, fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply. The Department of Energy Conversion and Storage is focusing on functional materials and their application in sustainable energy (sustainable energy scholarships) technology. Our research areas include fuel cells, electrolysis, polymer solar cells, magnetic refrigeration, superconductivity, thermoelectrics, sustainable synthetic fuels, and batteries. The Department, which has more than 200 employees, was founded in 2012. Additional information about the department can be found on

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 (Sustainable Development scholarships) Goals. Hans Christian rsted founded DTU in 1829 with a clear vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 11,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. Our main campus is in Kgs. Lyngby north of Copenhagen and we have campuses in Roskilde and Ballerup and in Sisimiut in Greenland.

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