Artificial intelligence as a driver of sustainable materials and circularity

Sustainability, resilience and circularity have become central challenges for modern materials science. Advanced materials underpin clean energy technologies, digital infrastructure and healthcare systems, yet their development remains dominated by a linear conduct of design, production, use and disposal. Despite progress in recycling and upcycling, these strategies are often inefficient, energy-intensive and difficult to scale, and are poorly matched to the urgency of climate change and resource constraints. Artificial intelligence (AI) has reshaped materials research through rapid property prediction, high-throughput screening and data-driven synthesis planning1. However, these advances prioritize performance optimization, with environmental impacts, recyclability and end-of-life behaviour addressed only post-development, leading to new waste streams or environmental burdens upon scale-up. Despite rapid expansion, AI applications in sustainability are mostly technical and insufficiently embedded in life-cycle thinking, revealing a systemic gap in sustainability outcomes2. Here, we propose that AI can move beyond its role as a discovery accelerator to enable sustainable, circular materials systems. Figure 1 illustrates this AI-enabled circular economy framework, in which AI operates at the centre of the material life cycle, linking life-cycle assessment (LCA), synthesis and testing, production, retail, product use, analysis and sorting, and recycling. Recovered materials are reintegrated into production, forming a closed loop in which AI continuously optimizes efficiency, resource recovery and environmental performance. Fig. 1: Artificial intelligence as the orchestrator of circular materials systems. Full size image Schematic illustration of artificial intelligence (AI) as an accelerator of sustainability and materials circularity.

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