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AI agents accelerate catalyst discovery for ultrafast water purification

Figure 1. (A) Sankey plot of catalyst types, substrates, and dominant ROS generated by the high-temperature, low-temperature, and original Qwen3-14B model; (B) Heatmap of elemental frequencies in generated candidates; (C) Ranking of 100 literature-derived candidates by four scoring metrics. This figure is adapted with permission[3]. Copyright 2026, Springer Nature. ROS: Reactive oxygen species.