DOI: 10.1039/d6dd00313c ISSN: 2635-098X
Agentic design of compositional descriptors via autoresearch for materials science applications
Matteo Cobelli, Stefano SanvitoAUTOMAT uses an LLM coding agent to propose, implement, and test composition-only descriptors for materials-property prediction, yielding interpretable features and a traceable record of the chemical ideas explored and refined.