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.
Work locationVilligen PSI, Switzerland