Postdoc position in Computational Design of Eletrocatalysts for the Oxygen Reduction Reaction

DTU Energi
mandag 09 okt 17

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Frist 6. november 2017
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The Section for Atomic Scale Modelling and Materials at DTU Energy, Technical University of Denmark (DTU), is looking for outstanding candidates for a 2-year postdoc position within the field of computational analysis and design of new catalysts and materials for the oxygen reduction reaction. The research project 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.

Project description
The successful candidate will use Density Functional Theory (DFT) to elucidate fundamental reaction mechanisms and active sites for the electrochemical reduction of O2 on novel catalyst structures and compositions such as non-precious metal catalysts. Additionally, computational approaches like genetic algorithms and machine learning will be used to discover novel catalysts compositions and structures with improved stability and/or reduced cost compared to platinum. 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.

The candidate should hold a PhD or equivalent degree in physics, chemistry or materials science. The candidate must have a strong background in computational chemistry/materials science and is expected to have performed original scientific research within density functional theory. Moreover, the successful candidate:

  • is innovative and able to work both independently and in cross-disciplinary teams
  • has good communication skills in English, both written and spoken
  • is able to work independently and take responsibility for progress and quality of projects
We offer
We offer an interesting and challenging job in an international environment focusing on education, research, public-sector consultancy and innovation, which contribute to enhancing the economy and improving social welfare. We strive for academic excellence, collegial respect and freedom tempered by responsibility. The Technical University of Denmark (DTU) is a leading technical university in northern Europe and benchmarks with the best universities in the world.

Salary and terms of employment
The appointment will be for 2 years and be based on the collective agreement with the Confederation of Professional Associations. The allowance will be agreed with the relevant union.

The employment is expected to start January 1st, 2018 or shortly thereafter.

Work place
We are currently present on both Risø Campus, close to the town of Roskilde, and Lyngby Campus, north of Copenhagen. In 2019, the entire department will be moving into new facilities at Lyngby Campus.

The work place will be DTU Energy, Lyngby Campus.

Further information
If you need further information concerning this position, please contact Prof. Tejs Vegge at or Researcher Heine A. Hansen at

Please do not send applications to these e-mail addresses, instead apply online as described below.

Application procedure:
We must have your online application by 6th November 2017. Apply online at

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)
  • Curriculum vitae
  • BSc/MSc/PhD diploma
  • List of publications indicating scientific highlight
  • List of References (at least two)
All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.

Candidates may apply prior to obtaining their master's degree, but cannot begin before having received it.

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

DTU Energy is focused on education, research, and development within functional materials and their application in sustainable energy technologies. The Department, which has more than 200 employees, was founded in 2012.
Additional information about the department can be found on

DTU is a technical university providing internationally leading research, education, innovation and scientific advice. Our staff of 5,800 advance science and technology to create innovative solutions that meet the demands of society; and our 10,600 students are being educated to address the technological challenges of the future. DTU is an independent academic university collaborating globally with business, industry, government, and public agencies