Postdoc in Atomistic Modeling of Electrolytes for Metal-air Batteries

Monday 05 Jul 21

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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 position in the field of atomistic modeling of battery electrolytes. The position is part of the department’s focus on batteries and the section’s core activities on accelerated discovery of battery materials and interfaces. The project entails assessing and screening various deep eutectic solvent (DES) electrolytes for the metal-air battery application by evaluating its glass transition and melting temperatures, ionic conductivities and possible reaction mechanism at the metal anode surfaces. The project will also investigate the potential benefit of adding polymers to the electrolytes. The candidate is expected to work in close collaboration with the experimental members of the group.

Responsibilities and qualifications
The successful candidate will develop and apply a range of computational methods to simulate properties of a diverse set of solvent and salt combinations in the electrolyte. The research will be strongly linked to several externally funded battery projects carried out in the Section. The methodological toolbox will include classical and ReaxFF 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 and ReaxFF molecular dynamics simulations of electrolytes or organic materials
  • Development of classical and ReaxFF force fields from ab initio simulation results
  • Designing a computational method and workflow to perform a high-throughput screening of materials based on descriptors extracted from simulation results
  • Computational investigation and assessment of electrolytes for their performance in battery applications

Candidates should have a Ph.D. degree in experimental physics, chemistry, materials science or equivalent. Moreover, the successful candidate should have:

  • Excellent communication skills in English (both written and verbal)
  • High level of motivation and enthusiasm about the research topic
  • Ability to work in an organized fashion, document and disseminate scientific results such as writing results in reports and publications
  • Ability to work independently and take responsibility for progress and quality of projects
  • Ability to work in a team environment

The assessment of the applicants will be made by Assistant Professor Jin Hyun Chang 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 Assistant Professor Jin Hyun Chang 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 13 August 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, polymer solar cells, magnetic refrigeration, superconductivity, thermoelectrics, 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. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.