Bonus Skills: Experience with running high throughput workflows and computational chemistry workflow tools (JobFlow, Atomate2, Jobflow-remote, Custodian) Computational Chemistry: experience with computational chemistry software like DFT, multi-scale / reaction modelling experience, - kMC, microkinetics, MD, meta-dynamics, QM/MM, or automated transition-state and reaction-network tools. DFT & high-throughput expertise - solid grasp of the underlying physics and hands-on experience with simulation packages (VASP, CP2K, Orca, LAMMPS, or equivalent), including designing, running, and maintaining large-scale DFT campaigns with workflow managers (Jobflow, Atomate2, Custodian, ASE workflows, jobflow-remote).