Role of artificial intelligence in the chemical industry transition to a sustainable, circular, and net-zero future

Abstract

This review focuses on the role of artificial intelligence (AI) in the transformation of the chemical industry toward a sustainable, circular, and net-zero emissions future. Key areas of contribution include sustainability assessment tools, materials and molecular design, development of circular reaction networks, and modeling of spatial and intermittent systems. We also identify three overarching priorities for improving AI’s role: developing trustworthy AI models for stakeholders, bridging the gap between academic research and industrial practice, and creating open-access platforms for sustainability-related data and trained models. The fundamental requirements of sustainable systems, preventing burden shifting and respecting nature’s limits, must also be satisfied.