Postdoctoral Position in DFT+U Methodological Developments for Computational Materials Modeling Forschungszentrum Jülich in Germany

A postdoctoral position is available in methodological developments within the DFT+U framework at Forschungszentrum Jülich GmbH, Germany, in collaboration with the Paul Scherrer Institute (PSI), Switzerland. The role is based in the Computational Materials Modeling division (Head: Dr. Piotr Kowalski) at the Institute for Energy Technologies, IET-3: Theory and Computation of Energy Materials. The successful candidate will work closely with Dr. Iurii Timrov from the Laboratory for Materials Simulations at PSI.

The project focuses on advancing the DFT+U methodology, particularly using Wannier functions, and implementing these advancements within the Quantum ESPRESSO package. The research will primarily involve the development of new functionalities for more accurate computer-based simulations of materials, especially those relevant to electrochemical energy technologies, energy storage, and electrocatalysis. The implemented methods will be applied to transition-metal and rare-earth compounds.

This position offers a unique opportunity to contribute to fundamental theoretical advances in electronic-structure methods, high-performance computing, and materials modeling, all within an international collaborative environment. The project is ideal for candidates interested in both code development and applied research on energy materials.

Eligibility: Applicants must have a PhD in physics, materials science, or chemistry, with a strong background in numerical simulations and computational research. Experience with density functional theory (DFT) and electronic-structure code development is mandatory. Proficiency in Fortran is required, and additional programming skills are advantageous. Strong communication skills in English and the ability to work both independently and collaboratively are essential.

Funding: The position is fully funded for an initial period of two years. Specific salary or stipend details are not provided. The role is part of a collaborative project between Germany and Switzerland.

Application: Interested candidates should send a single PDF application (including CV, cover letter, and three letters of recommendation) with the subject line 'Postdoc position DFT+U' to Dr. Piotr Kowalski ([email protected]) and Dr. Iurii Timrov ([email protected]). Applications are reviewed immediately and the position will remain open until filled.

Keywords: DFT+U, computational materials modeling, electronic-structure methods, energy materials, high-performance computing, Quantum ESPRESSO, method development, materials science, physics, chemistry.