PhD position on First-Principles Modeling of 2D Materials and van der Waals Heterostructures

DTU Physics
Wednesday 22 Feb 17

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The stipend will focus on development and application of novel ab-initio based methods for describing the photo-physical properties of two-dimensional materials and van der Waals heterostructures. The work will be carried out in the section for Theoretical Atomic-scale Physics (CAMD), at the Department of Physics, DTU. 

There will be a strong coupling to the Center for Nanostructured Graphene (CNG) at DTU, which covers all aspects of research on 2D materials from materials synthesis over characterization to theory at various levels. The project will mainly apply Density Functional Theory and Many-Body Perturbation Theory. A list of relevant publications from the group can be found below.  

CAMD provides 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 candidate 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 many-body theory 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.   

Some relevant publications:
Band structure engineered layered metals for low-loss plasmonics
Gjerding and K. S. Thygesen
Nature Communication, accepted (arXiv:1701.07222)

Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures
Latini, K. Winther, and K. S. Thygesen
Nano Letters 17 , 938 (2017)

Band Gap Tuning and Defect Tolerance of Atomically Thin Two-Dimensional Organic-Inorganic Halide Perovskites
Pandey, K. Jacobsen, and K. S. Thygesen
Phys. Chem. Lett. 7, 4346 (2016)

Approval and Enrollment of PhD Students
The scholarship for the PhD degree are subject to academic approval, and the candidate 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 PhD Programme – DTU.   

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

Salary and appointment terms
The salary and appointment terms of the PhD position are consistent with the current rules for PhD degree students. The period of employment is 3 years.   

The positions are available immediately, but the starting date can be as late as August 2017.   

Further information
For further information about the research at CNG and CAMD please visit and  

Should you have any queries regarding the positions, please contact Professor Kristian S. Thygesen,   

Please submit your online application no later than 1 April 2017. 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
  • 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. 

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

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