Advancing chemical engineering technology with artificial intelligence

Abstract Artificial intelligence is fundamentally transforming chemical engineering by redefining how materials are discovered, processes are optimized, and innovations are deployed at scale. This review provides a unique perspective on artificial intelligence’s role as a catalyst for chemical engineering’s evolution, emphasizing its ability to synergize computational intelligence with experimental workflows. Key contributions include artificial intelligence-enabled breakthroughs in structure–property relationship modeling, retrosynthetic analysis, and computational chemistry for rapid material optimization, followed by artificial intelligence’s impact on industrial translation through smart process control, digital twins, and automated laboratories, which facilitates seamless scaling from laboratory innovation to industrial production. Specific applications in energy, catalysis, batteries, and water treatment demonstrate artificial intelligence’s potential to address critical global challenges. By critically evaluating limitations and offering a roadmap for future advancements, this review highlights artificial intelligence not just as a tool but as a transformative force driving a more adaptive, intelligent, and sustainable chemical engineering paradigm.

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Institutions

Publication Details

Journal
Clean Energy
Published
2025-09-12
DOI
https://doi.org/10.1093/ce/zkaf036
Citations
2
Primary Topic
Fault Detection and Control Systems
Type
article
Field-Weighted Citation Impact
2.43

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article

Advancing chemical engineering technology with artificial intelligence

Chao Ding, Jun Jiang, Xin Gui
2 citations
Clean Energy
Fault Detection and Control Systems
2.43
article

Advancing chemical engineering technology with artificial intelligence

Chao Ding, Jun Jiang, Xin Gui
article en
2 citations

Abstract

Abstract Artificial intelligence is fundamentally transforming chemical engineering by redefining how materials are discovered, processes are optimized, and innovations are deployed at scale. This review provides a unique perspective on artificial intelligence’s role as a catalyst for chemical engineering’s evolution, emphasizing its ability to synergize computational intelligence with experimental workflows. Key contributions include artificial intelligence-enabled breakthroughs in structure–property relationship modeling, retrosynthetic analysis, and computational chemistry for rapid material optimization, followed by artificial intelligence’s impact on industrial translation through smart process control, digital twins, and automated laboratories, which facilitates seamless scaling from laboratory innovation to industrial production. Specific applications in energy, catalysis, batteries, and water treatment demonstrate artificial intelligence’s potential to address critical global challenges. By critically evaluating limitations and offering a roadmap for future advancements, this review highlights artificial intelligence not just as a tool but as a transformative force driving a more adaptive, intelligent, and sustainable chemical engineering paradigm.

Clean EnergyVol. 9(5)
University of Science and Technology of China (CN), Anhui University (CN), Hefei University of Technology (CN)
National Natural Science Foundation of China, Chinese Academy of Sciences, University of Science and Technology of China
Openalex Percentile: Top 10%
Fault Detection and Control Systems
2.43
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