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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

Your profile:

• Education and degree in natural sciences
• Excellent Bachelors and Masters degrees
• Excellent coding skills
• Strong mathematical skills
• Very good English proficiency

https://jobs.ruhr-uni-bochum.de/jobposting/5e9534f9a99927625250d53615d518a10d09d2fb0?ref=AfA