computational materials science for planetary cores

We are looking for a postdoctoral researcher to explore and establish a new research line on the ab initio prediction of phase diagrams for solids and liquids at high temperatures and high pressures. The scientific aim is to understand materials and mixtures relevant to planetary cores.

The position connects the Center for Molecular Modeling, the Department of Electromechanical, Systems and Metal Engineering, and external collaborators in planetary science. Working place is Ghent University, Belgium.

This is an exploratory position. There is no predefined workflow or detailed research plan. The selected candidate will help identify suitable computational strategies, design and test workable workflows, and gradually build a robust research strategy in close interaction with the supervisor, the research group and external collaborators.

Possible ingredients include first-principles simulations of crystalline and liquid phases, density-functional theory, molecular dynamics, free-energy methods, thermodynamic integration, structure prediction and/or machine-learning interatomic potentials, depending on what is scientifically appropriate for the project.

The work will be carried out in close collaboration with planetary scientists who are experts in planetary interiors but not necessarily in ab initio simulation methods. Good communication skills are therefore essential, especially the ability to explain computational assumptions, limitations and uncertainties to collaborators from neighbouring disciplines.

We are looking for a candidate with a thesis-based doctorate in physics, materials science, chemistry, computational materials science, geoscience, or a closely related discipline. The ideal candidate combines scientific independence with a collaborative attitude, has a sound understanding of modern ab initio materials modelling, and can apply existing methods critically and creatively to new scientific questions.

Relevant experience includes atomistic simulations of crystalline materials and/or liquids, molecular dynamics simulations based on ab initio methods or related atomistic approaches, and practical experience with one or more common electronic-structure or atomistic-simulation codes, such as VASP, Quantum ESPRESSO, WIEN2k, ABINIT, CP2K, LAMMPS or related software. Experience with machine-learning interatomic potentials, high-pressure or high-temperature materials simulations, phase stability, free-energy calculations, melting, phase coexistence, phase diagram construction, high-performance computing workflows or scripting is an advantage, but not mandatory.

The position is a full-time postdoctoral contract for an initial period of one year, renewable once for a second year after positive evaluation and subject to the usual administrative conditions. The contract can start in autumn 2026, preferably between September and November 2026. The exact starting date is negotiable.

The successful candidate will join an enthusiastic research team of about 50 people. Several team members work in condensed matter physics and computational materials science, using similar first-principles and atomistic simulation tools but addressing different scientific problems. Interactions and collaborations within the team are strongly encouraged.