Masters project at PSI (SCD/LMS): Systematic correction of electronic self-interaction with Koopmans functionals
Investigate how best to unite Koopmans and Perdew-Zunger self-interaction corrections for electronic structure calculations.
Masters project at PSI (SCD/LMS): Combining Koopmans and Hubbard corrections for accurate band structures of materials
Investigate how best to unite Koopmans and Hubbard corrections for electronic structure calculations.
Masters project at PSI (SCD/LMS): Development of an AiiDAlab QE app plugin to calculate the Work Function of Surfaces
Develop a plugin for the Jupyter-based AiiDAlab Quantum ESPRESSO app focused on calculating the work function of material surfaces. Ideal for students aiming to apply their coding skills and scientific knowledge to contribute to scientific software in material science research.
Two Masters projects at PSI (SCD/LMS): Development of CLI/GUI tools to facilitate workflow construction in AiiDA
In these projects, the student will work on developing CLI/GUI tools that can facilitate workflow construction. This effort will be based on the established AiiDA WorkChain class, as well as the recently developed WorkGraph approach.

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