A research team developed artificial intelligence technology that could find ways to improve researchers' understanding of the chemical reactions involved in ammonia production and other complex chemical reactions.
A research team developed artificial intelligence technology that could find ways to improve researchers' understanding of the chemical reactions involved in ammonia production and other complex chemical reactions.
A research team led by Qi An, an associate professor of materials science and engineering at Iowa State University, has developed artificial intelligence technology that could find ways to improve researchers' understanding of the chemical reactions involved in ammonia production and other complex chemical reactions.
"Exploring catalytic reaction mechanisms is crucial for understanding chemical processes, optimizing reaction conditions, and developing more effective catalysts," they wrote.An said there are two keys to the researchers' software technology: a type of machine learning called reinforcement learning and connecting the simulation process with the positions of the atoms involved.
The researchers also built the technology to be useful for general studies of catalytic reactions. Studies start with the positions of atoms mapped on an energy landscape. That's enough -- researchers don't have to start with a more specific representation of the reaction environment, including the states, actions or rewards for a particular reaction.
"This allows us to figure out the reaction mechanism," An said."We're able to see important reaction steps in ammonia synthesis."
Inorganic Chemistry Organic Chemistry Biochemistry Educational Technology Information Technology Artificial Intelligence Computer Science
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