Postdoc: Atomistic Engineering of Copper-Resistant Steels

Delft; Netherlands; Remote; EUR 45,000 - 58,000; Full time

Job summary

TU Delft's Team Dey, within the Computational Materials Science section, invites you to join a postdoctoral project on predicting and mitigating liquid copper infiltration in steels using MD, MLIP-based interatomic potentials, and DFT-accurate simulations implemented at an atomistic level.

You will collaborate with European institutes and steel industry partners to uncover atomistic mechanisms and to develop transferable interatomic potentials.

Qualifications

• PhD in materials science/engineering or closely related field.
• Strong expertise in atomistic and molecular simulation techniques (DFT, MD, AIMD) and ML interatomic potentials for steel systems.
• Proven research record with publications and conference activity.
• Excellent written and spoken English.

Responsibilities

• Perform MD simulations to study copper segregation, wetting and embrittlement at steel grain boundaries.
• Develop a DFT-accurate MLIP enabling near-DFT accuracy in predictive MD.
• Collaborate with project partners to connect modelling with process development and alloy design.
• Contribute to scientific publications and proposals.

Skills

Atomistic simulations

Molecular dynamics

Density Functional Theory

Machine learning interatomic

Education

PhD in Materials Science and Engineering

PhD in Physics or Chemistry

Tools

MLIP development

MD simulations

AIMD workflows

Job description

TU Delft's Team Dey, within the Computational Materials Science section, invites you to join a postdoctoral project on predicting and mitigating liquid copper infiltration in steels using MD, MLIP-based interatomic potentials, and DFT-accurate simulations implemented at an atomistic level.

You will collaborate with European institutes and steel industry partners to uncover atomistic mechanisms and to develop transferable interatomic potentials.