Airbus, BMW Group and Quantinuum, world leaders in mobility and quantum technologies, have developed a hybrid quantum-classical workflow to speed up future research using quantum computers to simulate quantum systems, focusing on the chemical reactions of catalysts in fuel cells.

In a new technical paper, "Applicability of Quantum Computing to Oxygen Reduction Reaction Simulations", the three partners report accurately modeling the oxygen reduction reaction(ORR) on the surface of a platinum-based catalyst.

The ORR is the chemical reaction in the process that converts hydrogen and oxygen into water and electricity in a fuel cell and it limits the efficiency of the process. It is relatively slow and requires a large amount of platinum catalyst, so there is great interest and value in better understanding the underlying mechanisms involved in the reaction.

Using Quantinuum's H-Series quantum computer, the collaboration team has demonstrated the applicability of quantum computing in an industrial workflow to enhance our understanding of a critical chemical reaction. The three companies plan further collaboration to explore the use of quantum computing to address relevant industrial challenges.

“Circularity and sustainable mobility are putting us on a quest for new materials, to create more efficient products and shape the future premium user experience. Being able to simulate material properties to relevant chemical accuracy with the benefits from the accelerating quantum computing hardware is giving us just the right tools for more speed in innovation for this decisive domain.” said Dr. Peter Lehnert, Vice-President, Research Technologies at BMW Group.

As a pioneer in the global automotive market BMW Group recognizes the transformative potential of quantum computing and its importance in researching new materials, where it can enable faster and more efficient processes while reducing lab prototypes. 

Approaching and accurately simulating one of the most fundamental electrochemical processes for the first-time using quantum computing marks a substantial step towards the sustainable energy transition, benefiting metal-air batteries, and other products with enhanced efficiency.