Authors: Aleksandar Kondinski, Sebastian Mosbach, Jethro Akroyd, Andrew Breeson, Yong Ren Tan, Simon D. Rihm, Jiaru Bai, and Markus Kraft*

The pressing challenge of decarbonization encompasses a vast combinatorial space of interlinked technologies, thus necessitating an increased reliance on artificial intelligence (AI)-assisted molecular modeling and data analytics. Our backcasting analysis proposes a future rich in efficient decarbonization technologies, such as sustainable fuels for aviation and shipping, as well as carbon capture and utilization. We then retrace the path to this proposed future with the guidance of two constraints: the maximization of scientists’ creative capacities and the evolution of a world-centric AI. Our exploration leads us to the concept of a “CreatorSpace,” a distributed digital system resembling existing hackerspaces and makerspaces known for accelerating the prototyping of new technologies worldwide. The CreatorSpace serves as a virtual, semantic platform where chemists, engineers, and materials scientists can freely collaborate, integrating chemical knowledge with cross-scale, cross-technology tools, and operations. This streamlined molecular-to-process-design pathway facilitates a diverse array of solutions for decarbonization and other sustainability technologies.

• Access the article at the publisher: DOI: 10.1016/j.chempr.2023.12.018

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