Laboratory for Materials Simulations

Open Opportunities

Two Masters projects at PSI (SCD/LMS): Development of CLI/GUI tools to facilitate workflow construction in AiiDA Paul Scherrer Institute Laboratory for Materials Simulations 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. Software Engineering Master Thesis, Semester Project

Masters project at PSI (SCD/LMS): Systematic correction of electronic self-interaction with Koopmans functionals Paul Scherrer Institute Laboratory for Materials Simulations Investigate how best to unite Koopmans and Perdew-Zunger self-interaction corrections for electronic structure calculations. Theoretical and Computational Chemistry, Theoretical and Condensed Matter Physics Master Thesis, Semester Project

Masters project at PSI (SCD/LMS): Combining Koopmans and Hubbard corrections for accurate band structures of materials Paul Scherrer Institute Laboratory for Materials Simulations Investigate how best to unite Koopmans and Hubbard corrections for electronic structure calculations. Theoretical and Computational Chemistry, Theoretical and Condensed Matter Physics Master Thesis, Semester Project