adsorption energy 1catalyst discovery 1contrastive learning 1generative models 1slab-to-bulk retrieval 1
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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…
cs.LG2024
Generative Language Model for Catalyst Discovery
Dong Hyeon Mok, Seoin Back
Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial…