AI helped scientists in India find new ways to turn CO2 into fuel

Researchers at the Indian Institute of Science (IISc) combined machine learning with advanced computer simulations to map how carbon dioxide reacts on a copper catalyst. They identified 9,389 individual reactions, including pathways that conventional models had missed, and their predictions of CO2 conversion improved dramatically. One approach they studied is hydrogenation, where a catalyst helps CO2 react with hydrogen to form chemicals such as methanol, which can be used as a fuel. The team also found a surprising way hydrogen takes part in these reactions. The findings, published in Nature Communications, could help scientists build more efficient catalysts.