Postdoctoral Fellow / Postdoctoral Fellowess

Your Tasks

• 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.
• Design workflows and user interfaces to ensure these workflows are easily usable and accessible via the AiiDAlab platform.

Your Profile

• PhD degree in computational condensed-matter physics or a relevant discipline such as chemistry or materials science.
• Experience with the development, implementation, and application of atomistic simulation methods.
• Proficient programming skills in Python.
• Experience with parallel computing using HPCs.
• Prior experience with density functional theory.
• Strong written and oral communication skills in English.
• Able to work effectively both independently and as part of a team.

We Offer

Our institution fosters an interdisciplinary, innovative, and dynamic collaborative environment. You will benefit from systematic on-the-job training, complemented by opportunities for personal development and a strong vocational training culture. We are committed to supporting your ability to balance work, family life, and personal interests through our modern employment conditions and on-site infrastructure.

This position is supported by the NCCR Separations. The initial employment contract will be limited to 2 years but is extendable for an additional 2 years upon satisfactory performance.

For further information, please contact Dr. Iurii Timrov at iurii.timrov@psi.ch.

Apply online using the form below. Only applications matching the job profile will be considered.

Paul Scherrer Institute, Human Resources Management, Serdal Varol, 5232 Villigen PSI, Switzerland.