Postdoc in Atomistic Modeling of Organic Battery Materials

tirsdag 18 maj 21

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Frist 20. juni 2021
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The Section for Atomic Scale Materials Modelling at DTU Energy is looking for an outstanding candidate for a 2-year postdoc positions in the field of atomistic modeling of organic battery materials. The project entails developing and applying methods for comprehensive atomic-scale simulations of polymer electrode materials and electrolytes for metal-ion batteries as well as electroactive molecules for organic redox flow batteries.

Responsibilities and qualifications
The successful applicant will develop and apply a range of computational methods to simulate properties of a diverse set of organic battery materials. The research will be strongly linked to several externally funded battery projects carried out in the Section. The methodological toolbox will include classical molecular dynamics, density functional theory, and hybrid QM/MM approaches.

A qualified applicant will have expertise in one or more of the following topics:

  • Classical molecular dynamics simulations of organic materials or macromolecules
  • Development of polarizable force fields
  • Development or advanced applications of condensed-phase electronic structure methods (e.g. molecular dynamics, QM/MM, solvation models)

Prior experience with battery or other electrochemical materials is advantageous but not required.

As a formal qualification, you must hold a PhD degree (or equivalent).

The assessment of the applicants will be made by Associate Professor Piotr de Silva and Head of Section, Professor Tejs Vegge.

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 2 years starting as soon as possible.

You can read more about career paths at DTU here.

Further information
Further information may be obtained from Associate Professor Piotr de Silva at Please do not send applications to this e-mail address, instead apply online as described below.

You can read more DTU Energy at

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
Your complete online application must be submitted no later than 20 June 2021 (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
  • Academic Diplomas (MSc/PhD)
  • List of publications
  • List of references (at least two)

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

DTU Energy
The Department of Energy Conversion and Storage is focusing on functional materials and their application in sustainable energy technology. Our research areas include fuel cells, electrolysis, solar cells, electromechanical converters, sustainable synthetic fuels, and batteries. The Department, which has more than 200 employees, was founded in 2012. Additional information about the department can be found on

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 vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 12,900 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. Our main campus is in Kgs. Lyngby north of Copenhagen and we have campuses in Roskilde and Ballerup and in Sisimiut in Greenland.