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The application of artificial intelligence in the research and development of advanced materials
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Fanli DONG1, 2, Zhipeng XIAO1, 2, Yanhui LI2
Science & Technology Review | 2025, 43(24) : 35 - 43
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Science & Technology Review | 2025, 43(24): 35-43
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The application of artificial intelligence in the research and development of advanced materials
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Fanli DONG1, 2, Zhipeng XIAO1, 2, Yanhui LI2
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  • 1School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
  • 2Inner Mongolia Research Institute, Shanghai Jiao Tong University, Hohhot 010010, China
Published: 2025-12-28 doi: 10.3981/j.issn.1000-7857.2025.06.00111
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Artificial intelligence (AI) is profoundly transforming the paradigms and methodologies of advanced materials research and development. This review systematically examines cutting−edge advances in AI applications across materials composition/structure design, property prediction, synthesis optimization, and industrial implementation. By integrating data−driven approaches, physics−informed modeling, and autonomous experimental systems, AI has enabled high−accuracy cross−scale performance prediction, inverse design of materials with extreme properties, intelligent optimization of synthesis processes, and non−destructive defect detection, significantly accelerating development cycles while overcoming performance bottlenecks. The work highlights breakthroughs in representative case studies including high−throughput screening of stable crystals, targeted development of radiative cooling materials, and optimization of electrolytes for high−voltage batteries, while elucidating how techniques such as few−shot learning, transfer learning, and physics−constrained algorithms address challenges in data scarcity and multiscale modeling. Looking forward, the synergistic convergence of AI with quantum computing and generative design will propel materials innovation toward an accelerated transition to advanced paradigms characterized by data−driven workflows, autonomous decision−making, and intelligent iteration.

artificial intelligence  /  materials design  /  property prediction  /  data−driven  /  technology integration
Fanli DONG, Zhipeng XIAO, Yanhui LI. The application of artificial intelligence in the research and development of advanced materials[J]. Science & Technology Review, 2025 , 43 (24) : 35 -43 . DOI: 10.3981/j.issn.1000-7857.2025.06.00111
Year 2025 volume 43 Issue 24
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Article Info
doi: 10.3981/j.issn.1000-7857.2025.06.00111
  • Receive Date:2025-06-23
  • Online Date:2026-01-14
  • Published:2025-12-28
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  • Received:2025-06-23
  • Revised:2025-10-25
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    1School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
    2Inner Mongolia Research Institute, Shanghai Jiao Tong University, Hohhot 010010, China
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表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
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Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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