The Frontiers of Society, Science and Technology, 2026, 8(3); doi: 10.25236/FSST.2026.080301.
Zhongqian Wu, Tuo Wang
School of Management and Engineering, Nanjing University, Nanjing, 210093, Jiangsu, China
Traditional new material synthesis predominantly adopts an empirical trial-and-error R&D model, which suffers from deficiencies such as insufficient standardization of process flows, complex parameter coupling mechanisms, prolonged development cycles, and poor preparation stability, making it difficult to meet the demands of high-end new materials for efficient, green, and large-scale industrial production. Artificial intelligence technology provides crucial support for the paradigm innovation of material R&D, effectively breaking through the developmental constraints of traditional synthesis processes. This paper focuses on AI-powered intelligent synthesis of new materials, conducting a comparative analysis of the paradigm differences between traditional and intelligent synthesis approaches. It establishes a comprehensive intelligent synthesis process system for new materials, integrating data processing, intelligent modeling, path design, parameter optimization, closed-loop verification, and process standardization. Centered around five application scenarios—formula optimization, dynamic parameter regulation, streamlined green processes, defect tolerance management, and mass production process adaptation—the study systematically outlines the application pathways of AI in optimizing synthesis processes. Additionally, it identifies existing bottlenecks in intelligent synthesis technology regarding data, models, engineering implementation, and industry standards, while forecasting future trends in technology, industry, and the industrial ecosystem. The research clarifies the development direction of intelligent synthesis technology, offering theoretical reference for the intelligent R&D of new materials and the industrialization upgrade of processes.
artificial intelligence; new material synthesis; process construction; process optimization
Zhongqian Wu, Tuo Wang. Trend Analysis on the Construction of AI-Based New Material Synthesis Processes and Process Optimization. The Frontiers of Society, Science and Technology (2026), Vol. 8, Issue 3: 1-8. https://doi.org/10.25236/FSST.2026.080301.
[1] Linghu J J, Lei S, Liu H, Zhang Y, Han N N, Li Z P. Empowering New Material Design with Machine Learning: A Paradigm Change from Experience Trial and Error to Data Driven [J]. Computational Physics, 2026,43 (1): 2-20.
[2] Chen X, Song Z L, Lu S H, Wu Y L, Ju M G, Zhou Z H, Wang J L. AI driven material design: paradigm shift from small data to big data [J]. Chinese Science: Chemistry, 2025, 55 (6): 1648-1659.
[3] Liang C, Rou Z H, Ye C Y, Li C,Wang B, Li H S.Material symmetry recognition and property prediction accomplished by crystal capsule representation[J].Nature Communications, 2023, 14(1):5198-5198.
[4] Wang Z G, Wan M, Chen Z Y, Li K, Wang X G, Liu M, Meng S, Wang Y Q. Research and Application of Data Driven Material Intelligent Design Platform [J]. Frontiers of Data and Computing Development, 2023, 5 (2): 86-96.
[5] Abolhasani Milad, Kumacheva Eugenia. The rise of self-driving labs in chemical and materials sciences[J].Nature Synthesis,2023,2(6):483-492.
[6] Malik Shreshth A., Goodall Rhys E. A., Lee Alpha A. Predicting the Outcomes of Material Syntheses with Deep Learning [J].CHEMISTRY OF MATERIALS,2021,33(2):616-624.
[7] Ren R Q, Zhao Z H. AI-assisted synthesis in reticular framework materials [J]. Journal of Capital Normal University: Natural Science Edition,2026,(3):49-60.
[8] Jiao L, Hua Y, et al. Current Status and Prospects of Resource Recycling Technology for Fiber-Reinforced Polymers in the New Energy Industry [J]. Energy Environmental Protection,2026,(1):28-41.
[9] Liu Z Y. Innovation and Application of Ammonia Separation and Purification Technology in the Process of Green Hydrogen Synthesis of Ammonia [J]. Shanxi Chemical Industry,2026,(2):213-215.
[10] Wu Y J, Li P X, et al. Research Progress and Challenges of Materials Genome Engineering and Intelligent Science in the AI+Era [J]. Foundry Technology,2026,(1):1-15.