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Understanding the molecular conformations involved in catalysis & building hypotheses to test experimentally has been ‘the privilege of the computational chemist’, says Varinia Bernales. @andyextance.bsky.social #ChemSky #catalysis #AI www.chemistryworld.com/features/ai-...
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Artificial intelligence tools are transforming catalyst research, with new AI agents capable of completing in minutes what once took computational chemists days. Andy Extance explores how all scientis...
AI agents accelerate catalyst discovery from simulation to scale-up
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Chemistry World