The Materials Theory Group in the Materials Department is recruiting one fully-funded doctoral student to work under the supervision of Prof. Claude Ederer on the development and application of advanced electronic structure calculations to explore the phase diagram and relevant properties of layered Ruddlesden-Popper-type nickelates.
Project backgroundLayered nickelates of the Ruddlesden-Popper series have recently emerged as promising candidates for high temperature superconductivity, with a critical temperature around 80 K under a pressure of around 18 GPa. The layered structure of these nickelates bears similarities to the famous cuprate superconductors, but many other aspects, including the nominal d occupation of the Ni cations, also differ significantly from the cuprates.
Job descriptionThis computational project will employ calculations based on density functional theory (DFT) and extensions of DFT, such as DFT+U and DFT in combination with dynamical mean-field theory (DMFT). It is embedded in a consortium of various Swiss and French research groups, and will involve close collaborations with experimentalists employing different synthesis, characterization, and spectroscopic techniques, with a focus on pressure-dependent studies of Ruddlesden-Popper-type nickelates of different chemical compositions.
ProfileRequired qualifications:
- Master's degree in Physics, Materials Science, Chemistry, or a closely related subject.
- Excellent communication skills in English, both oral and in writing.
- Strong interest in Materials Science and the application and development of advanced computational methods.
- Excellent mathematical/analytic skills.
- Strong self-motivation.
- Strong commitment to collaborate and work in a diverse research team.
Highly desirable qualifications:
- Prior experience with executing computational projects.
- Prior experience with DFT-based electronic structure calculations or other computational quantum-mechanical many-body techniques.
- Programming skills in either Python, Fortran, or a comparable programming language.
We offer - Opportunities to collaborate with international research groups, enabling you to build a strong scientific network.
- The possibility to mentor students and interns and contribute to their academic development.
- A constructive, friendly, and supportive group atmosphere that encourages open scientific exchange.
- Access to excellent computational facilities and a modern research environment that supports high-quality-work.
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