PhD position (m/f/x)
In order to fill a fixed-term position in part-time (29.87 hours/week = 75%) at the earliest possible date, we are looking for a
PhD position (m/f/x)
The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is a research centre at the Ruhr-Universität Bochum, focusing on the development and application of multi-scale simulation tools for advanced materials. ICAMS is embedded into a network of national and international collaborations. Researchers and students benefit from this top international and interdisciplinary environment. The Department for Atomistic Modelling and Simulation has its focus on machine-learning interatomic potentials and employs these for predicting materials properties. The advertised position will be based in the Group Data-Driven Methods for Atomistic Simulation.
You will develop and implement foundational interatomic machine learning potentials and apply these to problems in solvation science.
Scope: part-time
Duration: fixed-term, 3 years
Start: at the earliest possible date
Apply by: 2026-06-17
Your tasks:
- High-throughput DFT calculations for database generation
- Code development for GRACE machine learning interatomic potentials in Python (JAX, TF) and possibly C++
- Training of GRACE models on HPC hardware
- Finetuning and application of GRACE models for solvation science
- Education and degree in natural sciences
- Excellent Bachelors and Masters degrees
- Excellent coding skills
- Strong mathematical skills
- Very good English proficiency
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