Two PhD positions at PSI Switzerland — Materials Software and Data Group (Dr. Giovanni Pizzi)
We are advertising two PhD positions at the Paul Scherrer Institute (PSI), both within the Materials Software and Data Group led by Dr. Giovanni Pizzi, part of the Laboratory for Materials Simulations in the PSI Center for Scientific Computing, Theory and Data. These positions are at the interface of machine learning, quantum simulations, and scientific software.
Position 1 — Quantum-mechanical simulations of muons in materials (deadline: June 14, 2026) Part of the newly funded NCCR Muoniverse. Develop and apply first-principles DFT methods to identify muon stopping sites, going beyond classical approximations via SSCHA and/or path-integral approaches, with opportunities to use MLIPs and generative AI. Build AiiDA/AiiDAlab workflows for the broader community. Enrollment in the ETH Zürich doctoral program, co-supervised by Prof. Nicola Spaldin. 
https://www.psi.ch/en/hr/job-opportunities/74609-phd-student-in-quantum-mechanical-simulations-of-muons-in-materials
Position 2 — Machine-learning models for electronic structure (deadline: June 21, 2026) Develop transferable ML models to predict advanced electronic properties of materials (electron–phonon coupling, Berry-phase observables), beyond standard energies and forces. Includes dataset generation via AiiDA workflows and exploration of foundation models across the periodic table. Enrollment in the EPFL doctoral program (EDMX), co-supervised by Prof. Michele Ceriotti. https://www.psi.ch/en/hr/job-opportunities/74634-phd-student-in-electronic-structure-machine-learning-for-materials
Both positions are suited to candidates with a background in computational materials science, condensed-matter physics, or related fields, with DFT experience, Python skills, and a strong interest in method development. Applications via the PSI online portal only (cover letter, CV, transcripts, two referees).