Eligibility:Must have permission to work in Europe (EU residence, work permit, or equivalent) We, the
SUME research group at Vrije Universiteit Brussel (VUB), are seeking a highly motivated PhD candidate to join our research team working at the intersection of advanced battery interface design, AI‑driven modelling, and multiscale simulation.
The project focuses on understanding and engineering solid–solid and solid–liquid interfaces through an integrated approach combining atomistic (DFT, AIMD, MD), and continuum (FEM) Modelling, supported by machine learning frameworks.
Key responsibilities • Perform
DFT/AIMD simulations to study interfacial electronic/ionic behavior • Conduct atomistic MD simulations of battery-relevant interfaces • Develop or apply finite element models for mesoscale interface analysis • Integrate
AI/ML techniques to accelerate multiscale predictions • Collaborate within a multidisciplinary team and contribute to publications