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familiarity with at least one of: DFT workflows, Wannier/TB model building, or quantum-transport simulations; willingness to become hands-on across the stack. Comfortable with Linux/HPC, job schedulers, and
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: formulate the design space (categorical + continuous variables), craft domain-aware operators, and couple simulation results back into the search loop. The broader goal is to deliver a reproducible, scalable
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required. Knowledge of surface science and QM/MM simulations will be valued. Availability to travel. Working conditions: Full-time employment contract (37.5H per week). Contract duration: 2 years Workplace
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