Postdoc: ML-Driven Discovery in Double-Perovskite Oxynitrides

Syddansk Universitet; Cortex Park; Vor Ort; DKK 420.000 - 540.000; Vollzeit

Zusammenfassung

Syddansk Universitet, via the Mads Clausen Institute in Sønderborg, invites applications for a Postdoctoral Research Associate in Computational Materials Chemistry. The position emphasizes first-principles (DFT) calculations, high-throughput screening, and machine-learning driven discovery of double-perovskite oxynitrides.

You will contribute to research under the VILLUM Foundation project hosted by NanoSYD/CatMatX, supervise MSc/PhD students, prepare publications and grant proposals, and

Qualifikationen

• PhD in Computational Materials Chemistry or closely related field.
• Demonstrated hands-on experience with DFT calculations and solid-state modelling.
• Strong publication record in peer‑reviewed journals.
• Experience with ML, high-throughput screening, and materials databases.
• Excellent command of English, written and spoken.

Aufgaben

• Perform DFT calculations and develop high-throughput workflows for structure prediction and property assessment.
• Apply machine-learning approaches for accelerated discovery of double-perovskite oxynitrides.
• Collaborate with NanoSYD and CatMatX; analyze data and interpret results.
• Supervise MSc/PhD students and contribute to publications and grant proposals.
• Communicate research findings at seminars and conferences.

Kenntnisse

DFT calculations

Machine learning

Python programming

HPC workflows

English proficiency

Ausbildung

PhD in Computational Materials Chemistry or related

Tools

VASP

Quantum ESPRESSO

GPAW

CASTEP

Jobbeschreibung

Syddansk Universitet, via the Mads Clausen Institute in Sønderborg, invites applications for a Postdoctoral Research Associate in Computational Materials Chemistry. The position emphasizes first-principles (DFT) calculations, high-throughput screening, and machine-learning driven discovery of double-perovskite oxynitrides.

You will contribute to research under the VILLUM Foundation project hosted by NanoSYD/CatMatX, supervise MSc/PhD students, prepare publications and grant proposals, and