ERC-funded postdoc position, atomistic modelling of anisotropic stresses on functional materials, Ghent University, Belgium (Deadline: 30.04.2025)

The Rogge group, embedded within the multidisciplinary Center for Molecular Modeling (molmod.ugent.be) at Ghent University, Belgium, is looking for a highly motivated postdoctoral researcher to perform state-of-the-art computational research in functional materials design. The researcher will establish and implement a general stress control algorithm that can be used in conjunction with existing molecular dynamics codes to predict phase transitions and phase stability in functional materials under anisotropic stress stimuli. Anisotropic stresses (e.g., uniaxial or shear stress) are among the most important stimuli that trigger transitions in materials. However, although algorithms exist to computationally mimic the impact of temperature, pressure, and gas adsorption on a material’s behaviour, no such approach exists for general tensorial stresses, even though the six independent components in the stress tensor each have the potential to induce different phase transformations. Hence, developing a general stress control algorithm is vital to understanding how polymorphism in functional polymorphic materials such as metal-organic frameworks and perovskites can be modelled, predicted, and, eventually, controlled.