Summary
The Paul Scherrer Institute (PSI) is offering a PhD scholarship focused on the development of next-generation machine-learning models for electronic-structure theory in materials science. This initiative aims to address significant scientific challenges by combining machine learning with quantum-mechanical simulations.
PhD Student in Electronic-Structure Machine Learning for Materials, Paul Scherrer Institute, Switzerland
Designation
PhD Student in Electronic-Structure Machine Learning for Materials
Research Area
- Machine Learning
- Electronic Structure Theory
- Materials Science
- Quantum Mechanical Simulations
Location
Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland
Eligibility/Qualification
- Master’s degree (or close to completion) in physics, materials science, chemistry, engineering, or a closely related field.
- Hands-on experience with density functional theory (DFT) and/or development of machine-learning models related to materials.
- Proficiency in Python for scientific computing and data analysis.
- Good communication skills in English (both verbal and written).
- Interest in quantum simulations and the development of computational methods.
Job Description
| Task Description |
|---|
| Contribute to the development of transferable electronic-ML (e-ML) models. |
| Curate high-quality electronic-structure datasets using AiiDA-based workflows. |
| Validate and benchmark predictive performance of models for advanced materials properties. |
| Explore transferable foundation models applicable across the periodic table. |
| Develop robust, reusable, and efficient open-source software and workflows. |
How to Apply
Interested candidates should submit their application online, which should include:
- A one-page cover letter summarizing your interest and qualifications.
- CV.
- Transcript of records.
- Contact details for two referees.
For inquiries, please contact Dr. Giovanni Pizzi at giovanni.pizzi@psi.ch.
Last Date to Apply
June 21, 2026
This scholarship provides a unique opportunity to work in an interdisciplinary and dynamic environment while contributing to groundbreaking research at one of the leading research institutes in Switzerland.
