Artificial Intelligence in Scalable Materials Synthesis and Manufacturing

Vollständiger Abstract

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While Artificial Intelligence (AI) has transformed materials discovery, the primary bottleneck to technological impact remains the transition from lab-scale synthesis to robust, industrial-scale manufacturing. Most promising materials perish in this depth, which is referred as the “valley of death”. The current review consolidates and critically evaluates the emerging ecosystem of AI-driven strategies and frameworks designed specifically to bridge this “lab-to-fab” gap. The review shifts our attention from property prediction to the engineering-driven problems of manufacturability. Furthermore, the review discusses the main obstacles to scaling the production of materials, such as reproducibility, process optimization in the context of uncertainty, and techno-economic viability, as well as the AI approaches being developed to overcome them. This includes Natural Language Processing (NLP) for method extraction, graph neural networks for reaction modeling, reinforcement learning for process control, Bayesian optimization for definition of process windows, and integrated AI–Techno-Economic Analysis (TEA) frameworks. Equally importantly, the review examines the principal failure modes that constrain practical deployment, including out-of-distribution generalization, incomplete and non-transferable literature-derived data, simulator-to-plant mismatch, uncertainty miscalibration, and the continued need for expert oversight. The article concludes with a forward-looking roadmap for the future of AI in chemical and materials engineering. The proposed conclusion is defined by a paradigm shift from simply finding new materials to creating viable, economical, and scalable pathways to produce them, thereby enabling a new era of synthesis-aware materials innovation.