PhD position on Quantum Defects and Autonomous Materials Design

DTU Fysik
fredag 07 dec 18

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Frist 1. februar 2019
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The section for Computational Atomic-scale Materials Design (CAMD) at the Technical University of Denmark (DTU), is seeking an outstanding and highly motivated candidate for a PhD position within the area of first-principles modeling of point defects in semiconductors and high-throughput discovery of new materials for photovoltaics and quantum technologies. The position is funded by the ERC Consolidator project “Controlling light-matter interactions by quantum designed 2D materials” (LIMA).

The successful candidates will use and develop first-principles methods to model fundamental electronic processes (radiative and non-radiative) taking place around defects in semiconductors, including both conventional bulk- and 2D materials. The goal is to establish computational schemes for predictive modeling of the chemical, electronic, and optical properties of semiconductors with point defects, and use it to identify new candidate materials for solar energy conversion and single-photon light sources, respectively. The materials discovery-part of the project will involve the development of workflows for automatized high-throughput computations and machine learning algorithms for pre-screening candidate materials and identifying the most relevant structures and compositions. As an example of a recent high-throughput work from the group, see the Computational 2D Materials Database,  

CAMD ( offers an international and scientifically stimulating working environment at the Department of Physics, DTU, located in the northern Copenhagen area. The group has strong connections to local experimental groups within the VILLUM Center for the Science of Sustainable Fuels and Chemicals ( and the Center for Nanostructured Graphene ( 

Substantial computational resources are available for the project through the DTU-supercomputer facility Niflheim ( 


The successful PhD candidate will have obtained excellent grades in his/her Bachelor and Master educations. A solid knowledge of quantum mechanics and solid state physics, and ideally also aspects of many-body theory, is a requirement. Some experience with programming (e.g. Pyhton, C, C++) is preferred. Furthermore, the candidate should be highly motivated and willing to work as part of a team. Good communication skills in both spoken and written English, are a requirement.  

Approval and Enrollment of PhD Students
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.  

The assessment of the applicants will be made by Professor Kristian S. Thygesen. 

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 position, which involves a limited teaching obligation, includes salary and travel grants covering the three years it takes to obtain a PhD degree at a Danish university. Salary level is approximately 50.000 Euro/year incl. pension. 

The position is available immediately, but the starting date is flexible.

You can read more about
career paths at DTU here.

Further information
Should you have any queries regarding the positions, please contact Professors Kristian S. Thygesen,

Please submit your online application no later than 1 February 2019 (local time). To apply, please open the link "Apply online", fill out the online application form. The following must be attached in English: 

  • A letter motivating the application (cover letter)
  • Curriculum vitae
  • Grade transcripts and BSc/MSc diploma
  • 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.

DTU is a technical university providing internationally leading research, education, innovation and
scientific advice. Our staff of 6,000 advance science and technology to create innovative solutions that meet the demands of society, and our 11,200 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.