Postdoc in Electronic Structure Modelling of Redox Flow Battery Materials

Applications are invited for a postdoctoral position in sustainable energy to join Technical University of Denmark. The funds for this fellowship are available for 2 years. Applicants should apply before October 10, 2019.

Department of Energy Conversion and Storage at the Technical University of Denmark (DTU Energy) invites applications for a 2-year postdoc position to work in the area of electronic structure modelling of redox flow battery (RFB) materials. The SONAR project is funded by the European Commission through the Horizon 2020 program. The aim is to develop a comprehensive multiscale modelling framework for RFB materials and devices. The research project will be carried out in the Section for Atomic Scale Materials Modelling in collaboration with several partners from other countries in and outside Europe. We provide an international, inspiring and dynamic research environment.

You will contribute to the development of a multiscale modelling framework for simulations of redox flow batteries. You will be responsible for the implementation and execution of simulation protocols based on the density functional theory (DFT) and molecular dynamics (MD) calculations. The target properties include redox potentials, solubilities, and (electro)chemical reaction rates. The developed models will be directly coupled with mesoscopic and data-driven models developed by our collaborators.

Candidates should have a PhD degree in computational chemistry or a related field. The successful candidate will have experience in DFT and MD simulations of molecular materials for energy conversion and storage. In particular, we expect hands-on experience with simulations of electrochemical properties of organic materials for battery applications. Theoretical and practical knowledge of chemical reaction and electron transfer rate theories is also expected. Strong communication skills in English, both written and spoken, are a requirement.

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.

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 2 years. The expected starting date is January 1st, 2020 or soon thereafter.

You can read more about

Further information may be obtained from Asst.

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

You can read more about the Section for Atomic Scale Materials Modelling at

Please submit your online application no later than 10 October 2019 (local 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.

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

DTU Energy 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

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 university collaborating globally with business, industry, government and public agencies.

Deadline: October 10, 2019
Apply Link:

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