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adsorption energy 1catalyst discovery 1contrastive learning 1generative models 1slab-to-bulk retrieval 1

From the 1 of 1 linked paper with an AI index.

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1 paper

cs.LG2026

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

Jungho Oh, Woosung Kim, Dong Hyeon Mok +2

The paper introduces CatRetriever, a contrastive representation learning model that maps catalyst slab structures to their corresponding bulk crystals, enabling accurate retrieval…