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Section 6 focuses on homogeneous catalysis. These catalytic processes, enabled by molecular organometallic or organic compounds as active species, are also a vital technology in today’s petro- chemical value chain and have potential to be key actors in the transition to a sustainable future. In particular, homogeneous chemistries allow for precisely controlled and diverse molecular connec- tivities, which will be crucial in the development of entirely new chemistries for the production of complex, value-added products and functionnal chemicals from readily-available starting materials like CO2, H2O, and N2. Current technologies based on homogeneous catalysts have been optimized to facilitate the utilization of fossil resources (oil, natural gas, and coal) in centralized processes, using, for instance, CO as an intermediate. Opportunities for the transition to the sustainable production of fuels and chemicals include (i) adapting these current processes to consume renew- able feedstocks (using primarily CO2 and green H2 or electricity) or (ii) developing alternative conversion routes that directly transform renewable feedstocks to value-added products, requiring multi-electron redox processes and sequential bond-breaking/bond-forming events. Data-driven ap- proaches enabling increasing integration of experiment and theory are expected to play a significant role in the discovery of new, ground-breaking catalysts for such reactions. Section 7 demonstrates how biological systems can be used as sources of inspiration to sustainably convert solar energy to fuels and chemicals. In addition to providing important chem- istry and engineering lessons that may be broadly translated in all areas of catalysis, the evolved photosynthetic pathways of biological systems can provide inspiration for artificial photosynthesis. Several technologies involving photosynthetic microbial cell factories are already in place at the demonstrator-plant level, and biohybrid systems are finding success at the R&D level, but inte- grated devices are largely missing. Advances are needed in both fundamental understanding and device development to achieve real technological solutions. In particular, developing a systems engineering framework to help rationally design modular biological and bioinspired catalysts is a key aim. Furthermore, both synthetic biology toolboxes and bioreactor designs must continue to be improved for photosynthetic microbial cell factories to move beyond demonstrator level. Ad- vances are needed in designing strong electron sinks targeting a range of useful products, enhancing photosynthetic efficiency by suppressing unproductive pathways and design systems for secretion of products. Artificial intelligence (AI) and computational methods have the potential to rapidly accel- erate the transition to sustainably produced fuels and chemicals in a number of ways, from the atomic level (e.g. facilitating materials discovery) to the systems level (e.g. optimizing plant oper- ating conditions and schedules). Section 8 investigates the role of data and AI in the discovery of new materials, primarily catalysts. The efficient use of AI tools relies on the availability of large amounts of appropriately described data. Thus, encouraging the catalysis community to openly share scientific data is essential and may be facilitated by the creation of a new catalysis database with support for computational and experimental data. This is particularly challenging 7PDF Image | sustainable production of fuels and chemicals
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