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Postdoctoral Fellow – Atomistic Simulations and AI for Materials Design

Vrije Universiteit Brussel | Belgium | 5 days ago

such as VASP, Quantum ESPRESSO, LAMMPS, GROMACS. • Machine-learned interatomic potentials. • Structure-property prediction using GNNs. • LLM fine-tuning and prompt engineering (e.g., HuggingFace, OpenAI