AIBullisharXiv – CS AI · 5h ago7/10
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Autonomous heterogeneous catalyst discovery with a self-evolving multi-agent digital twin
Researchers introduce CatDT, a self-evolving multi-agent AI system that autonomously discovers heterogeneous catalysts by building digital twins of working catalytic systems. The system achieves predictions within 0.5-2x of experimental results across diverse catalyst types and independently identifies non-precious catalyst candidates for propane dehydrogenation that rival industrial platinum-based benchmarks.