Woosung Kim

CatRetriever: Contrastive Representation Learning for Slab-to-Bulk Retrieval in Generative Catalyst Discovery

CatRetriever provides a scalable route for connecting catalyst generative models with physically plausible and adsorption energy compatible bulk catalyst discovery, and is extended into an adsorption energy targeted bulk discovery pipeline that combines bulk retrieval, generative search space expansion, and adsorption energy distribution analysis.