DTU Tenure Track Researcher in Computational Design of Non-Conventional Energy Materials
5 days ago
The Department of Energy Conversion and Storage (DTU Energy) at DTU seeks a researcher in the computational design of non-conventional energy materials.
DTU Energy has an outstanding track record in the discovery, design, and development of new and improved materials and devices for sustainable energy conversion and storage, specifically in the areas of batteries, electrolysis, Power2X, fuel cells, thermal energy storage, heat pumps, and solar cells.
The Department seeks applicants for a tenure-track researcher position focused on developing computational methods to design materials for energy devices operating on fundamentally novel principles distinct from those traditionally explored by the scientific community. The position focuses on three main areas: i) solid-state thermal batteries, ii) inverted singlet-triplet photoactive materials for sustainable energy applications, and iii) oxide freestanding films as ionic and/or electronic superconductors.
Responsibilities and qualifications
The successful candidate will advance algorithms and computer simulations within the Section for Atomic Scale Materials Modelling, contributing to at least one of three pioneering projects: Anti-Hund, Heat2Battery, and NEXUS. The candidate is expected to focus their efforts primarily on one of these projects during the early stages of their appointment.
The concrete tasks to be carried out during the tenure track period are the following:
For the Anti-Hund project:
- Development and implementation of first-principles methods for simulations of electronic transition rate constants in photoactive molecular materials.
- Development of quantum-mechanical models and computational methods for describing the electronic and vibrational structure of inverted singlet-triplet molecules.
- Inverse molecular design of inverted singlet-triplet molecules.
For the Heat2Battery project:
- Develop a workflow combining Ab Initio Molecular Dynamics and Machine Learning to assess proton diffusion in electrodes and solid electrolytes.
- Predict phase transition temperatures in electrode materials and the corresponding generated voltages through cluster expansion modeling.
- Screen candidate materials for electrodes and electrolytes based on the CALPHAD methods.
For the NEXUS project:
- Develop and analyze model Hamiltonians to predict the emergence of flat bands arising from Moiré patterns.
- Extend models beyond traditional Landau-Ginzburg-Wilson paradigms to capture the novel physics in oxide freestanding interfaces.
- Combine insights from DFT and ML simulations with model Hamiltonian to predict conditions under which ionic and/or superconductivity might emerge in twisted bilayer oxide membranes.
As a candidate, you must have demonstrated top-level and original scientific research within the development and applications of computational methods for atomic-scale materials design, discovery, and characterization within one or more of the Department’s research areas, preferably within battery, optoelectronic materials, and/or functional oxides.
You must contribute to the teaching of courses. DTU employs two working languages: Danish and English. You are expected to be fluent in at least one of these languages and are expected to master both over time.
As formal qualification, you must hold a PhD degree (or equivalent).
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.
Starting date is 1 April 2025 (or according to mutual agreement). The position is a full-time position.
The position is part of DTU’s Tenure Track program. Read more about the program and the recruitment process here .
Further information
Further information may be obtained from Head of Department, Professor Søren Linderoth, mail: , or Head of Section, Professor Juan Maria Garcia-Lastra, .
Application procedure
Your complete online application must be submitted no later than 31 January 2025 (23:59 Danish time) .
Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file . The file must include:
- Application (cover letter)
- Vision for teaching and research for the tenure track period
- CV including employment history, list of publications, H-index and ORCID (see )
- Teaching portfolio including documentation of teaching experience
- Academic Diplomas (MSc/PhD)
Applications received after the deadline will not be considered.
All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.
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