Postdoctoral Fellow -NCCR Separations-

Your Role

Engage in high-throughput simulations of materials utilizing Quantum ESPRESSO and AiiDA, grounded in density-functional theory, to aid in the training of machine learning interatomic potentials (MLIPs).

Develop active-learning workflows within AiiDA for the autonomous fine-tuning of MLIPs models, ensuring robust and efficient enhancements.

Create user-friendly workflows and interfaces that facilitate accessibility and usability of these processes through the AiiDAlab platform.

Your Qualifications

• PhD degree in computational condensed-matter physics or a related field, such as chemistry or materials science.
• Demonstrated experience in the development, implementation, and application of atomistic simulation methods.
• Proficient programming skills in Python.
• Familiarity with parallel computing on high-performance computing systems.
• Prior experience with density functional theory.
• Strong written and oral communication skills in English.
• Ability to work effectively both independently and as part of a team.

What We Provide

Our institution fosters an interdisciplinary, innovative, and dynamic collaborative environment. You will benefit from systematic on-the-job training in addition to opportunities for personal development and a strong emphasis on vocational training.

We support a work-life balance with modern employment conditions and on-site infrastructure, ensuring you can align personal interests with your professional commitments.

The position is backed by the NCCR Separations initiative, with an initial contract duration of 2 years, extendable for an additional 2 years based on satisfactory performance.

Location

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