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Artificial intelligence/machine learning of polymer materials and discovery chemistry

Year: 2025

Type: article

Abstract: Artificial intelligence (AI) and machine learning (ML) approaches are increasingly applied to various science and engineering areas to innovate with enhanced efficiencies and productivity. This article discusses some of the progress in polymer materials and discovery chemistry facilitated by AI/ML, with a focus on (1) AI/ML for polymers and chemistry, (2) polymerization methods and flow chemistry, (3) three-dimensional printing and AI/ML, (4) self-driving laboratories and workflows, (5) large language models and algorithms, and (6) simulations. AI is playing critical roles for discovery chemistry, including polymer materials

Source: MRS Bulletin

DOI: 10.1557/s43577-025-00986-9