PhD Scholarship in Computational Design of Eletrocatalysts for CO2 Reduction

Technical University of Denmark - DTU Energy

The Section for Atomic Scale Modelling and Materials at DTU Energy, Technical University of Denmark (DTU), invites applications for a PhD scholarship on computational analysis and design of new materials for electrochemical CO2 reduction. 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 the fundamental reaction mechanisms of the electrochemical reduction of CO2 to fuels and chemicals on catalyst surfaces and nanoparticles, using DFT, genetic algorithms and machine learning to discover novel catalysts compositions and structures. The PhD 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 master's degree in physics, chemistry or materials science or a similar degree with an academic level equivalent to a master's degree in Engineering

A successful candidate:

  • 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 favour candidates with experience in computational/theoretical physics, chemistry and related areas.

Approval and Enrolment
The scholarship for the PhD degree is subject to academic approval, and the candidates will be enrolled in one of the general degree programmes of DTU. For information about the general requirements for enrolment and the general planning of the scholarship studies, please see the DTU PhD Guide.

The assessment of the applicants will be made by: Head of Section, Professor Tejs Vegge, Researcher Heine A. Hansen

We offer
We offer an interesting and challenging job in an international environment focusing on education, research, scientific advice 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 appointment terms
The salary and appointment terms are consistent with the current rules for PhD degree students. The period of employment is 3 years and the PhD project will be carried out at DTU Lyngby Campus.
The employment is expected to start July 1st, 2017 or soon thereafter.

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.

Please submit your online application no later than April 12th, 2017. Apply online at

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

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.

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