Summary
The Paul Scherrer Institute (PSI) is seeking a highly qualified Postdoctoral Fellow for the “NCCR Separations” initiative. The role involves conducting advanced research in the areas of materials simulations and machine learning interatomic potentials.
Postdoctoral Fellow – NCCR Separations, Paul Scherrer Institute, 5232 Villigen PSI, Switzerland
Designation
Postdoctoral Fellow (Index-Nr. 7300-27928)
| Category | Details |
|---|---|
| Research Area | Separation Science and Material Simulations |
| Location | Paul Scherrer Institute, 5232 Villigen PSI, Switzerland |
| Eligibility/Qualification | PhD in computational condensed-matter physics or relevant discipline (chemistry or materials science) |
| Programming Skills | Proficiency in Python |
| Experience Required | – Development, implementation, and application of atomistic simulation methods – Density functional theory – Parallel computing using HPCs |
| Language Proficiency | Strong written and oral communication skills in English |
Job Description
- Perform high-throughput simulations of materials using Quantum ESPRESSO and AiiDA based on density-functional theory for the training of machine learning interatomic potentials (MLIPs).
- Develop AiiDA active-learning workflows for autonomous fine-tuning of the MLIPs models.
- Create user-friendly workflows and interfaces for access via the AiiDAlab platform.
How to Apply
Interested candidates should submit their application online, including a list of publications and three letters of recommendation.
Last Date to Apply
24 May 2026
For further information, please contact Dr. Iurii Timrov at iurii.timrov@psi.ch.
Join us at PSI to contribute to groundbreaking research in the field of separation science and be part of a dynamic and interdisciplinary team!
