Postdoc in Theoretical Chemistry – DTU Energy, Denmark

Postdoc Position in DTU, Technical University of Denmark

Postdoc in Theoretical Chemistry: The Department of Energy Conversion and Storage at DTU invites applications for a 2-year postdoc position in theoretical chemistry. The project focuses on developing TD-DFT-based electronic structure methods for excited states, with a specific application area in photoactive organic energy materials.

DesignationPostdoc in Theoretical Chemistry
Research AreaTheoretical Chemistry, Excited States, Energy Materials
LocationKgs. Lyngby, Denmark
Duration2 years
Starting DateExpected in January 2024 or shortly thereafter
Application DeadlineSeptember 24, 2023

Eligibility/Qualification: Applicants should hold a PhD degree (or equivalent) in theoretical chemistry or a related field. The ideal candidate should have a demonstrated expertise in quantum chemistry methods development and a strong background in electronic structure calculations for excited states.

Responsibilities and Qualifications: The successful candidate will be responsible for developing and implementing a computational method to calculate molecular excited states. The method will be based on linear-response time-dependent density functional theory (TD-DFT), aiming to incorporate the partially doubly excited character of the states. The candidate must possess a PhD degree and have a solid track record in theoretical chemistry methods development.

We Offer: DTU is a globally recognized technical university known for its excellence in research, education, innovation, and scientific advice. The postdoc position offers an engaging and challenging role within an international environment. The university values academic excellence, collegial respect, academic freedom, and responsibility.

Salary and Terms of Employment: The terms of employment and salary will be in accordance with the collective agreement with the Danish Confederation of Professional Associations. The period of employment is 2 years.

Further Information: For more information about the position and research area, please contact Assoc. Prof. Piotr de Silva via email at You can also learn more about DTU Energy at

Application Procedure: Interested candidates are required to submit a complete online application by September 24, 2023 (23:59 Danish time). The application should be in English and submitted as a single PDF file, including:

  • Application (cover letter)
  • CV
  • Academic Diplomas (MSc/PhD – in English)
  • List of publications
  • List of references (at least two)

Applications received after the deadline will not be considered.

Note: DTU encourages candidates of all ages, genders, disabilities, races, religions, and ethnic backgrounds to apply.

For more information about working in Denmark and at DTU, please visit DTU – Moving to Denmark.

Note: Please apply through the “Apply now” link provided and refer to the given reference code for this position.



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