PostDoc position (m/f/x)

In order to fill a fixed-term position in full-time (39.83 hours/week = 100%) from 01.11.2026, we are looking for a

PostDoc position (m/f/x)

ICAMS - Interdisciplinary Centre for Advanced Materials Simulation, Department for Atomistic Modelling and Simulation, Data-Driven Methods for Atomistic Simulations research group
The successful candidate will contribute to ongoing research on machine-learning interatomic potentials and their application to atomistic simulations of materials and molecular systems.
Scope: full-time
Duration: fixed-term, 1 year
Start: from 01.11.2026
Apply by: 2026-06-17
Your tasks:

• Development, training, and evaluation of machine-learning interatomic potentials.
• Distillation of machine-learning interatomic potentials into computationally efficient models suitable for large-scale production simulations.
• Application of such potentials to atomistic simulations of chemically and technologically relevant systems.
• Methodological work on training workflows, uncertainty quantification, and validation strategies for data-driven atomistic models.
• Publication of results in peer-reviewed journals and presentation at international conferences.

Your profile

Required:

• Completed doctorate (PhD) in physics, chemistry, materials science, or a closely related field, with above-average grades.
• Strong programming skills in Python and experience with the scientific Python stack.
• Demonstrated experience with atomistic simulations (DFT and/or molecular dynamics).
• Very good command of written and spoken English.