fig1

Reaction-anchored generative informatics for million-scale CO<sub>2</sub> catalyst screening via multi-adsorbate constraints

Figure 1. Reaction-anchored generative materials informatics workflow for CO2RR ethanol-pathway-oriented surface discovery. CO2RR: CO2 reduction reaction; UMA: universal models for atom; DFT: density functional theory.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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