Scientists in India Develop Artificial Intelligence Model to Convert Carbon Dioxide into Methanol

An international team led by experts from the Indian Institute of Science (IISc) has developed an artificial intelligence and quantum simulation model that increases the conversion efficiency of carbon dioxide into methanol, an industrial fuel, by 40 times. The research, published in the journal Nature Communications, re-mapped hydrogenation processes on copper catalysts.

The team led by Indian Institute of Science (IISc) researcher Anand Mohan Verma and Ananth Govind Rajan expanded the 152 basic reaction steps that traditional chemistry simulations could examine due to computing power limitations to 9,389 steps thanks to the artificial intelligence model they developed. This expanded model proved that the conversion efficiency of carbon dioxide into methanol increased by 40 times compared to previous estimates.

The comprehensive reaction network developed also changed the rule in chemical science that the hydrogen molecule must break down into its atoms before reacting on the catalyst surface. In the new data network revealed by artificial intelligence, it was documented that hydrogen is transferred directly to oxygen-containing compounds while preserving its molecular structure without splitting into its atoms, and this situation accelerates methanol production.

Experts stated that the findings obtained will be used to reduce global CO2 emissions and produce clean methanol fuel. It was reported that the developed artificial intelligence architecture will also guide nitrogen reduction, obtaining green hydrogen, and designing new-generation industrial catalysts.