Postdoc: Atomistic Steel LCI Mitigation via ML Potentials

EURAXESS Czech Republic

Netherlands

Remote

EUR 42,000 - 65,000

Full time

14 days+

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Job summary

Delft University of Technology (TU Delft) in the Netherlands invites applications for a postdoctoral researcher to unravel how silicon suppresses liquid copper infiltration at grain boundaries in steels, using MD simulations and MLIP development in collaboration with European partners.

You will work in Team Dey, Computational Materials Science, focusing on atomistic mechanisms of LCI and silicide interactions, aiming for recyclable, green steel production through advanced modelling and

Qualifications

You hold a PhD in Materials Science and Engineering, Physics, Chemistry, or a closely related discipline.
You have strong expertise in atomistic and molecular simulation techniques (DFT, MD, AIMD) and ML interatomic potentials.
You have a strong track record in scientific research with publications and conference participation.
You have excellent written and verbal communication skills in English.

Responsibilities

Perform MD simulations to obtain atomic-scale insights into copper segregation, wetting and embrittlement at grain boundaries in steels.
Develop a DFT‑accurate machine-learned interatomic potential enabling predictive MD simulations with near-DFT accuracy.
Investigate how silicon suppresses LCI and its effects on grain boundary site competition and intermetallic phases.
Collaborate with project partners to connect modelling insights with process development and alloy design.
Contribute to scientific publications, conference presentations and new research proposals.