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<p>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.</p> Graphical abstract <p>AI is playing critical roles for discovery chemistry, including polymer materials</p>

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Artificial intelligence/machine learning of polymer materials and discovery chemistry

  • 期刊论文

  • 发表日期：

    2025年11月10日

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  • Jihua Chen,
  • Panagiotis Christakopoulos,
  • IIia N. Ivanov,
  • Rama K. Vasudevan,
  • Rajeev Kumar,
  • Bobby G. Sumpter,
  • Rigoberto C. Advincula

摘要

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.

Graphical abstract

AI is playing critical roles for discovery chemistry, including polymer materials