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PhD and Postdoc position on DFT plus AI at Ruhr ... (No replies)

ThomasH
1 year ago
ThomasH 1 year ago

We are looking for a PhD student in the group of PD Dr. Thomas Hammerschmidt at ICAMS,
Ruhr University Bochum, Germany and for a Postdoc in the group of Dr. Jean-Claude Crivello
at ICMPE, UPEC CNRS, Paris, France for the French-German project 'Artificial Intelligence for
Intermetallic Materials (AIIM)'. The successful candidates will investigate the structural
stability of topologically close-packed phases, also known as Frank-Kasper phases.
These intermetallic phases are important for the design of superalloys and light-weight steels
that play a key role in the energy efficiency of power generation and transport.

Both candidates will perform high-throughput density-functional theory calculations as basis
for constructing machine-learning models that explore the technologically required complexity
of crystal structures and of chemical compositions. The focus of the joint project is the setup
of a hybrid-AI ecosystem that exploits domain knowledge of the interatomic bond with broader
applicability to other classes of materials. The predictions will be validated experimentally
in the group of Dr. Jean-Marc Joubert at ICMPE, CNRS Paris. The project will be carried out
in close collaboration of the groups with regular mutual visits.

For the PhD/postdoc position, we expect a very good MSc/PhD degree in physics, chemistry,
materials science or related disciplines with strong interest/background in programming,
electronic-structure calculations and machine-learning techniques.

The deadline for applications is 20.03.2023.

Applications with motivation letter, CV and contact information of two references should
be sent as one pdf file to [email protected] (PhD position in Bochum, Germany) or to [email protected] (Postdoc position in Paris, France).




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Ab initio (from electronic structure) calculation of complex processes in materials