Postdoc in Data-Driven Approaches in ab Initio Materials Modeling and Discovery – DTU Physics

Postdoc in Data-Driven Approaches in ab Initio Materials Modeling and Discovery – DTU Physics

Kgs. Lyngby, Denmark


The section for Computational Atomic-scale Materials Design (CAMD) at the Technical University of Denmark (DTU), is seeking an outstanding and highly motivated post doc within the broad area of electronic structure calculations and development of many-body methods to describe the ground- and excited states of solids. The project is supervised by Prof. Kristian Thygesen and is part of the VILLUM Investigator project “Data-driven design of functionalised 2D materials”.

As a postdoc at CAMD within the VILLUM Investigator project, you will develop new methods to describe the electronic structure of bulk and low-dimensional materials and integrate them in automated workflows to enable their application in high-throughput screening projects. Depending on your background and interests the project could focus on (i) generative models and machine learning of structure-property relations (ii) crystal point defects for quantum technology applications (iii) excitons and nonlinear optics. You will work in an international and stimulating environment of other PhD students and postdocs, employing state of the art computational methods and codes developed within the group. The developed methods will be implemented in the GPAW electronic structure code.

The CAMD section offers an international and scientifically stimulating working environment at the Department of Physics, DTU, located in the northern Copenhagen area. The section develops the GPAW electronic structure code, the Atomic Simulation Environment (ASE) as well as other open-source software projects and databases. Substantial computational resources are available for the project through the DTU-supercomputer facility Niflheim.

Your qualifications
You have a PhD degree or equivalent in theoretical/computational physics or chemistry. You have a strong background in solid state physics and electronic structure theory. You have good programming skills and strong knowledge of Python. Finally, you have excellent communication skills in both spoken and written English.

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 terms of employment
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 for two years. The position is available from October 2024 or as soon as possible thereafter. The position is a full-time position. The work must be carried out at DTU.

You can read more about career paths at DTU here.

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

You can read more about CAMD at

Application procedure 
Please submit your online application no later than 15 August 2024 (23:59 Danish 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:

  • Application (cover letter)
  • CV
  • Diploma (MSc/PhD)
  • List of publications 

Applications and enclosures received after the deadline will not be considered.

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

We carry out research in modern physics, especially in four main areas: sustainable energy, materials, quantum technology and biophysics. Our focus is both to acquire greater knowledge about basic scientific problems and to conduct research oriented towards use in societies and companies. 

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.

  • Job Identification3682
  • Job CategoryVIP B
  • Posting Date06/14/2024, 09:19 AM
  • Apply Before08/15/2024, 11:59 PM
  • Locations Fysikvej, Kgs. Lyngby, 2800, DK

DTU - Technical University of Denmark

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Deadline: 2024-08-15
Location: Denmark, Lyngby
Categories: Chemistry, Computational Chemistry , computational physics, Physics, Postdoc, theoretical physics,


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