This white paper explains why artificial intelligence is a strong complement to catalysis research and development. Catalysts are essential to industrial chemistry, enabling faster reactions and breakthroughs in areas such as molecular recycling, carbon capture, and sustainable ammonia production. However, catalysis is inherently complex due to multiple simultaneous reactions, side reactions, intermediates, and competing pathways. These complexities make traditional trial-and-error approaches slow and expensive. The paper highlights how AI can help manage this complexity by modeling reaction systems more effectively, accelerating discovery, optimizing catalyst performance, and reducing experimental burden, making innovation in catalysis faster and more reliable.

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