Join a collaborative research network dedicated to advancing muon science across particle physics, quantum materials, and diverse applications. You will work in a team that values openness, shared progress, and diversity, and supports your development through training, exchanges, and career opportunities. This position is part of Muoniverse, a Swiss National Centre of Competence in Research (NCCR), connecting research teams from universities, institutions, and museums.
Your tasks
- Combine first-principles simulations based on density functional theory (DFT) with the development of automated and reusable computational workflows for muon studies in materials.
- Develop and apply advanced first-principles methodologies to determine muon stopping sites and muon-induced effects, explicitly accounting for the quantum nature of the muon.
- Extend existing DFT workflows to include quantum effects and modern data-driven techniques.
- Perform DFT-based calculations of muon stopping sites and migration pathways, including nudged elastic band (NEB) calculations.
- Explore quantum treatments of the muon using methods such as path-integral molecular dynamics (PIMD) and/or the stochastic self-consistent harmonic approximation (SSCHA).
- Investigate the use of machine-learned interatomic potentials (MLIPs) to efficiently model muon–material interactions and enable affordable simulations.
- Optionally, explore generative AI approaches to predict favorable muon stopping sites, depending on your interests and project evolution.
- Translate developed methods into robust, reusable, and user-friendly workflows for adoption by the broader µSR and materials-science communities.
- Contribute to and extend existing AiiDA-based workflows and graphical interfaces (e.g. AiiDAlab Quantum ESPRESSO applications) for automated muon simulations and analysis.
- Publish results in peer-reviewed journals and present at international conferences.
- Take part in coursework at ETH Zürich and possibly teaching duties as part of the doctoral program.
What you bring
- Master’s degree (or close to completion) in physics, materials science, chemistry, engineering, or a closely related field.
- Hands-on experience using density functional theory (DFT) for research or projects.
- Working knowledge of Python for scientific computing and data analysis.
- Comfortable communicating research ideas and results in English, both in writing and conversation.
- Interest in quantum simulations, materials modeling, and/or developing new computational methods.
- Ability to work independently and in an interdisciplinary, collaborative environment.
What we offer
- Systematic training on the job and personal development opportunities.
- Supportive and inclusive work environment with a focus on diversity.
- Modern employment conditions and on-site infrastructure to help you balance work and personal life.
- Participation in the Muoniverse Research School for coordinated training, exchanges, and career development.
- Interdisciplinary, innovative, and dynamic collaboration culture.
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Über uns
The Paul Scherrer Institute (PSI) is Switzerland’s largest research institute for natural and engineering sciences, dedicated to advancing future technologies, energy and climate, health innovation, and fundamental science. PSI offers a vibrant environment with 2300 staff, a strong commitment to training future generations, and a culture that values diversity, collaboration, and sustainable solutions to major societal challenges.
Das Team
You will be based in the Materials Software and Data group at PSI, working closely with experts at the University of Zürich and ETH Zürich. The team is highly collaborative, interdisciplinary, and values openness, shared progress, and the integration of advanced computational methods with real scientific applications.