Technical Report 322, c4e-Preprint Series, Cambridge

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

Reference: Technical Report 322, c4e-Preprint Series, Cambridge, 2023

Associated Themes:
 

• Decarbonisation goals backcasted using AI and chemical data.
• CreatorSpace merges knowledge, AI, and tools for optimal solutions.
• Semantisation boosts hypothesis testing, reproducibility, and data handling.
• CreatorSpace enhances research, promotes collaboration, and broadens resource access.

The pressing challenge of decarbonisation encompasses a vast combinatorial space of interlinked technologies, thus creating opportunities for AI-assisted molecular modelling and data analysis. Our backcasting analysis proposes a future rich in efficient decarbonisation technologies, such as sustainable fuels for aviation and shipping, as well as carbon capture and utilisation. We then retrace the path to this proposed future, guided by two constraints: the maximisation 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 material 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 decarbonisation and other sustainability technologies.

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