PhD Studentship Within The Field Of Electronic Structure Theory and Computation

Applicants are invited to apply for a PhD position at Technical University of Denmark. Citizens of any country are eligible to apply. The deadline for applying is September 30, 2018.

PhD studentship at "The VILLUM Center for the Science of Sustainable Fuels and Chemicals (V-SUSTAIN)" within the Computational Atomic-scale Materials Design (CAMD) section at the Department of Physics, DTU.

VILLUM FONDEN has provided a substantial grant to "The Villum Center for the Science of Sustainable Fuels and Chemicals" (V-SUSTAIN). The clear aim of the center is to provide the science necessary to phase out fossil fuels and thereby alleviate the negative impact the continuous use of these have on the earth's climate and environment. The center is a collaboration between DTU, Stanford University, University of Copenhagen, and University of Southern Denmark.

The PhD studentship is within the field of electronic structure theory and computation. The stipend is focused on the design of new materials for conversion of light into fuels and involves the development of theory and computations for materials screening. The work will be carried out within V-SUSTAIN in close collaboration with experimental partners performing synthesis and testing of new materials.

The project will mainly apply Density Functional Theory.

V-SUSTAIN and CAMD provide a social and open scientific environment at the Department of Physics, DTU with close collaboration between theory and experiment. Substantial computational resources are available through the DTU-supercomputer facility Niflheim.


The successful candidates will have obtained excellent grades in his/her Bachelor and Masters degrees. He/she should be well motivated, hardworking, and willing and able to work as part of a team. Previous experience with electronic structure calculations and/or machine learning is preferable but not a requirement.

Candidates for the PhD position should have a Masters' degree in Physics, Chemistry, or Materials Science by the time they commence the project.

Approval and Enrollment of PhD Students

The scholarship for the PhD degree are subject to academic approval, and the candidates will be enrolled at the Physics PhD School at DTU. For information about the general requirements for enrollment and the general planning of the scholarship studies, please see: DTU PhD Guide.


The assessment of the applicants will be made by Professor Karsten W. Jacobsen.

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.

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 period of employment is 3 years.

The positions are available immediately, and the starting date should preferably be within 2018 or early 2019.

Further information

For further information about the research at V-SUSTAIN and CAMD please visit and

Should you have any queries regarding the position, please contact Professor Karsten W. Jacobsen,


Please submit your online application no later than 30 September 2018 (local 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 out the online application form, and attach all your materials in English in one PDF file. The file must include:
- Excel sheet with translation of grades to the Danish grading system (see guidelines and Excel spreadsheet here)

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

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.


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