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My post doctoral work consists of both scientific and educational research.
- Scientific research: I investigate the molecular corking effect, where ligands like N-heterocyclic carbenes (NHCs) selectively and reversibly bind to catalytic atoms in single-atom alloys (SAAs), using van der Waals-corrected DFT and localized orbitals
from plane-wave basis sets.
- Educational research: I study the integration of generative AI into chemistry curricula, focusing on AI-assisted lab and lecture assignments that teach prompt engineering, data analysis, and safe, critical use of third-party tools like OpenAI.