DFT Postdoc Researcher position at Ghent University, Belgium

Summary

Mark Saeys’ research group at the Laboratory for Chemical Technology (LCT) at Ghent University is seeking a postdoctoral researcher for a short-term, 60% occupancy role. The project focuses on the computational study of single-site catalysts in amorphous silica-based materials, specifically investigating the structure and stability of isolated active sites to bridge the gap between computational modeling and experimental results.

DFT Postdoc Researcher position at Ghent University, Belgium

Job Overview

Research Area

• Computational study of single-site catalysts in amorphous silica-based materials.
• Development of modeling strategies to interpret experimental data.
• Exploration of machine-learning interatomic potentials for $SiO_{2} \cdot nH_{2}O$ systems.

Eligibility & Qualifications

• Education: PhD in Chemical Engineering or a related field.
• Core Expertise: Strong background in first-principles modeling (DFT) of catalytic materials and heterogeneous/homogeneous catalysts.
• Technical Skills: Experience with electronic structure codes (e.g., VASP, Gaussian, ORCA), atomistic modeling of complex systems, and Linux-based high-performance computing (HPC) environments.
• Soft Skills: Ability to work independently, collaborate closely with experimental teams, and communicate computational findings effectively.
• Location: Must be living in or prepared to stay in Belgium during the research.
• Advantageous: Experience/interest in machine-learning interatomic potentials.

Job Description

• Perform DFT calculations to analyze the structure and stability of single sites in amorphous silica.
• Compare various local environments to identify structural factors influencing site stability.
• Collaborate with experimental team members to link computational results with catalyst synthesis and characterization.
• Test and evaluate computational methods and machine-learning models against experimental data.
• Communicate findings, project limitations, and future recommendations to the research group.
• Contribute to scientific publications and presentations.

How to Apply

Applications must be submitted online through the official Ghent University e-recruitment system. Please include the following:

• CV: Your CV and a transcript of your academic record (merged into one PDF).
• Cover Letter: Your application letter in PDF format.
• Diploma: A transcript of your PhD degree (with translations if the original is not in Dutch, French, German, or English).

Note: The maximum file size per field is 10 MB. Do not send applications via email.

Important Dates

• Last Date to Apply: July 3, 2026, at 23:59 (Brussels Time).

Link