PhD Scholarship in Multiscale Modeling of Nanostructured Anodes for Li-ion Batteries

Friday 17 Dec 21

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The Section for Autonomous Materials Discovery at DTU Energy is looking for an outstanding candidate for a PhD scholarship within atomistic and mesoscopic scale modelling of energy materials. The research position is part of the MetaBatt project Reconfigurable Metamaterials for Next Generation High-capacity Batteries” funded by the Independent Research Fund Denmark (DFF) under the Green Transition call.

Project description
The successful candidates will combine multiscale and machine learning (ML) models to design high-capacity artificial Si nanostructures to be used as anode electrodes for Li-ion batteries. The designed Si-nanostructures change shape upon charge/discharge accommodating the change in volume, which is one of the main limitations in Si-anodes. The student will use multiscale techniques to assess the mechanical and electrochemical properties of Si-anodes at different charging states and use these results to improve the accuracy of ML models. The projects will be carried out in close collaboration with experimental collaborators and linked to other ongoing projects in the Section working on clean energy materials and machine learning for accelerated materials discovery, including the European H2020 BIG-MAP and BATTERY 2030+ projects.

The successful candidate should have a two-year master's degree (120 ECTS points) in physics, chemistry or engineering or possibly a degree in computer science or informatics, with an academic level equivalent to a master's degree in engineering.

A successful candidate:

  • has good communication skills in English, both written and spoken
  • is able to work independently and take responsibility for progress and quality of projects.
  • We favor candidates with experience in computational/theoretical physics, chemistry and related areas.

Approval and Enrolment
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see the DTU's rules for the PhD education.

The assessment of the applicants will be made by: Associate Professor Ivano E. Castelli 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 appointment terms
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 3 years.

You can read more about career paths at DTU here.

The employment is expected to start April 1st, 2022 or shortly thereafter.

Further information
If you need further information concerning this position, please contact Ass. Prof. Ivano E. Castelli 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
Your complete online application must be submitted no later than 1 February 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 out 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
  • Grade transcripts and BSc/MSc diploma including official description of grading scale
  • List of publications (if any) indicating scientific highlights
  • List of References (at least two)

You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it.

Applications received after the deadline will not be considered.

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 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.