Summary
The Paul Scherrer Institute (PSI) is offering a PhD scholarship to develop next-generation machine-learning models for electronic-structure theory, targeting advanced electronic properties of materials. This position is ideal for candidates interested in computational materials science and machine learning.
PhD Scholarship 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 in Materials Science
- Electronic Structure Theory
- Quantum Mechanical Simulations
Location
Paul Scherrer Institute, 5232 Villigen PSI, Switzerland
Eligibility/Qualification
- Master’s degree (or nearing completion) in Physics, Materials Science, Chemistry, Engineering, or related fields.
- Hands-on experience with Density Functional Theory (DFT) or machine-learning model development.
- Proficiency in Python for scientific computing and data analysis.
- Strong communication skills in English (both written and verbal).
- Keen interest in quantum simulations and advanced computational methods.
Job Description
| Responsibilities |
|---|
| Co-develop transferable machine-learning models focused on computational efficiency and predictive accuracy. |
| Generate and curate electronic-structure datasets using AiiDA-based workflows. |
| Validate and benchmark models for advanced materials properties, including electron-phonon coupling and Berry phase quantities. |
| Develop transferable foundation models applicable across the periodic table. |
| Create robust, reusable, and efficient open-source software and workflows. |
How to Apply
Interested candidates should submit the following documents online:
- A one-page cover letter summarizing interest in the role and relevant background.
- Current CV.
- Transcript of records.
- Contact details for two referees.
For further details, contact Dr. Giovanni Pizzi at giovanni.pizzi@psi.ch.
Last Date to Apply
June 21, 2026.
This scholarship offers an excellent opportunity for motivated individuals to contribute to cutting-edge research while pursuing a PhD at a leading institute.
