Postdoctoral Researcher in Computational Materials Science Ghent University in Belgium

Ghent University invites applications for a postdoctoral researcher in computational materials science, based in the Faculty of Engineering and Architecture, Department of Electromechanical, Systems and Metal Engineering. This position is closely connected to the Center for Molecular Modeling and involves collaboration with planetary science experts. The research focus is on the ab initio prediction of phase diagrams for solids and liquids at high temperatures and high pressures, with the scientific aim of understanding materials and alloys relevant to planetary cores.

The successful candidate will establish a new research line, critically assessing computational strategies, designing and testing workflows, and building a robust research strategy in close interaction with the supervisor, research group, and external collaborators. Specific tasks include applying ab initio-based methods for phase diagram prediction, performing first-principles simulations using density-functional theory and/or machine-learning interatomic potentials, and designing computational strategies to compare phase stability, melting behavior, and phase coexistence in systems relevant to planetary interiors. The project may involve molecular dynamics, free-energy methods, thermodynamic integration, structure prediction, and related techniques, depending on project needs.

Collaboration with planetary scientists is integral, requiring clear communication of computational assumptions, limitations, and results to colleagues from neighboring disciplines. The researcher will contribute to publications, presentations, and follow-up research proposals, and interact with other group members working on condensed matter physics, materials modeling, and first-principles simulations.

Applicants must hold a thesis-based doctorate in physics, materials science, chemistry, computational materials science, geoscience, or a closely related discipline. Essential expertise includes first-principles electronic-structure methods, atomistic simulations of crystalline materials and/or liquids, molecular dynamics simulations based on ab initio methods, and practical experience with simulation codes such as VASP, Quantum ESPRESSO, WIEN2k, ABINIT, CP2K, or LAMMPS. Candidates should demonstrate scientific independence, creativity, and strong communication skills. Advantageous skills include experience with machine-learning interatomic potentials, high-pressure/high-temperature simulations, phase stability, free-energy calculations, melting, phase coexistence, phase diagram construction, and high-performance computing workflows.

The position offers a full-time postdoctoral contract for one year, renewable for a second year after positive evaluation. Remuneration is determined by salary scale PD1 to PD4, based on relevant experience and Ghent University regulations. Staff benefits include training and education opportunities, 36 days of holiday leave, bicycle allowance, and eco vouchers. The research team comprises about 50 members, with strong encouragement for collaboration and interaction within the group.

Applications must be submitted online via the Ghent University e-recruitment system before the deadline. Required documents include a CV, cover letter, doctoral diploma or certificate (with translation if necessary), a list of at least two referees, and a link to a 3-5 minute video presentation. Applications not submitted online or without a video link will not be considered. For further information, contact Professor Stefaan Cottenier at [email protected] (do not send applications by email).

Ghent University is committed to equal opportunities and diversity, encouraging all qualified candidates to apply.