Postdoc Position in the Development of Data Infrastructures and Scientific Workflows for the Batteries of the Future

DTU Energy

The Section for Atomic Scale Materials Modelling at DTU Energy is looking for outstanding candidates for a 2-year postdoc position within the field of quantum mechanical simulations and data management for battery science. The research position is part of the ambitious European research project BIG-MAP (Battery Interface Genome – Materials Acceleration Platform) under the large-scale and long-term European research initiative Battery 2030+, which seeks to reinvent the way we invent batteries. BIG-MAP is led by DTU with 34 partners from 15 countries and spanning world-leading academic experts, research laboratories, and industry leaders.

Responsibilities and qualifications
The successful candidates will break new ground in developing and applying workflow in the framework of Density Functional Theory (DFT) for automatize the discovery of battery materials. The workflows will be general to be compatible with the most common workflow and calculation engines. Moreover, the workflows will need to be interoperable and connect with the other workflows and Apps developed in the BIG-MAP project. To ensure this seamless link, the workflows and produced data and metadata need to embed ontology concepts. The successful candidate will thus work in close synergy with ontology experts to develop ontological workflows, based on BattINFO battery ontology developed in BIG-MAP.

The projects will be carried out in close collaboration with external partner groups and linked to other ongoing projects in the Section working on accelerated discovery for clean energy materials.

Candidates should hold a PhD or equivalent degree in materials science, physics, chemistry, or computer science. The candidates must have a strong background in materials or physical sciences, preferably coupled with experience in data management and ontology development, and are expected to have performed original scientific research within the fields listed above. Moreover, the successful candidate:

  • is innovative and learns new concepts and methods on the fly
  • has good communication skills in English, both written and spoken
  • gets excited by challenging complex projects
  • can work independently within a cross-disciplinary team and take responsibility for the progress and quality of projects.

The assessment of the applicants will be made by: Head of Section, Professor Tejs Vegge and Associate Professor Ivano E. Castelli.

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 for 2 years and be based on the collective agreement with the Confederation of Professional Associations. The allowance will be agreed upon with the relevant union.

The employment is expected to start September 1st, 2022, or soon after that.

Further information
If you need further information concerning this position, please contact Ass. Prof. Ivano E. Castelli at or Prof. Tejs Vegge at

Please do not send applications to these e-mail addresses, instead apply online as described below.

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark.

Application procedure
We must have your online application by 17 July 2022 (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 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
  • BSc/MSc/PhD diploma
  • List of publications (if any) indicating scientific highlights
  • List of References (at least two)

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

DTU Energy
The Department of Energy Conversion and Storage is focused on education, research, and development within functional materials and their application in sustainable energy technologies. The Department is focusing on functional materials and their application in sustainable energy technology. Our research areas include fuel cells, electrolysis, polymer solar cells, magnetic refrigeration, superconductivity, thermo electrics, sustainable synthetic fuels, and batteries. Additional information about the department can be found on

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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 vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 13,400 students and 5,800 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.