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RESEARCH PAPER · Journal of Materials Informatics · 2024

Applications of machine learning method in high-performance materials design: a review

Junhao Yuan, Zhen Li, Yujia Yang, Anyi Yin, Wenjie Li, Dan Sun, Qing Wang

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42 direct citing works

Applications of machine learning method in high-performance materials design: a reviewOriginalExploration without Explanation: A Conceptual Critique of Black-Box Materials Discovery0Interpretable machine learning for stability and electronic structure prediction of Janus III–VI van der Waals heterostructures22A Proposal of Genuine Computing Methods in Materials Informatics0Insight on the availability of techniques and procedures to improve material properties and processes, especially nanocomposites3High‐throughput calculation integrated with stacking ensemble machine learning for predicting elastic properties of refractory multi‐principal element alloys8Design of corrosion-resistant eutectic high-entropy alloys via hybrid data-driven and expert-guided strategies17Computational insights into PAN-based carbon fiber advancements: Simulation techniques, microstructural-property relationship, and future directions17Machine learning-enabled optoelectronic material discovery: a comprehensive review31Design and machine learning-assisted evaluation of NHC-functionalized C2N with transition metals for efficient CO reduction6MatPC: Prompting Large Language Model, Crystal Structure Prediction, and First-Principles for Semantic-Driven Material Design3Enhanced extrapolative machine learning for designing high‐performance multi‐principal‐element superalloys9High-Throughput Calculations and Machine Learning for Discovering Halide-Type Solid-State Electrolyte Materials12Leveraging Language Model, Crystal Structure Prediction and First-Principles Calculation for Material Design0AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects16Artificial intelligence in materials science and chemistry: Past, present and future trajectories9Large Language Models (LLMs) for Materials Design14Overcoming the intermediate-temperature embrittlement of high-strength Ni-Co-base wrought superalloy via C addition6Factors Influencing Impact Toughness Anisotropy in Single-Pass Low-Alloy Steel Welds0Multiband circular dichroism and data-driven prediction in a VO 2 /graphene chiral terahertz metasurface0Multiscale simulations of Ge–Sb–Se–Te phase-change alloys for photonic memory applications1Viscosity prediction of refining slag based on machine learning with domain knowledge4Experimental investigation and machine learning prediction of stress relaxation resistance in C17200 alloy under aging treatment0Alloy design paradigms in additive manufacturing: a new era of material innovation4A Review on Cracking in Laser Additive Manufacturing of Nickel‐Based Superalloys: Types, Formation Mechanisms, and Suppression Strategies5Synergistic enhancement of creep and corrosion resistances in a novel Al-containing high-Si reduced-activation ferritic/martensitic alloy0Cluster-model-embedded first-principles study of thermodynamic stability and elastic properties in (Zr, Ti)Cx carbides0Machine learning-assisted high-entropy alloy discovery: a perspective1Emerging Machine Learning Strategies for Digital Processing and Additive Manufacturing of Advanced Ceramics0Optimized WC-Co cutting inserts reinforced with nano-WC for improved machining performance of Inconel 7180Interpretable machine learning-assisted compositional screening and experimental validation of a silicide-reinforced titanium matrix composite0A Machine Learning-Based Method for Mechanical Material Property Prediction and Optimization Design0MatterMind: A User‐Friendly Material Design Platform Assisted by Large Language Model0Multiscale inverse design of mechanical cloaks via deep generative modeling0Organizational morphology reconstruction and virtual sample expansion based on generative adversarial networks0CALPHAD-type model aided elastic properties screening across the full compositional space of BCC Mo-Nb-ta-Ti alloys0

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  2. Interpretable machine learning for stability and electronic structure prediction of Janus III–VI van der Waals heterostructures

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  3. A Proposal of Genuine Computing Methods in Materials Informatics

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  5. High‐throughput calculation integrated with stacking ensemble machine learning for predicting elastic properties of refractory multi‐principal element alloys

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  6. Design of corrosion-resistant eutectic high-entropy alloys via hybrid data-driven and expert-guided strategies

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  8. Machine learning-enabled optoelectronic material discovery: a comprehensive review

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  10. MatPC: Prompting Large Language Model, Crystal Structure Prediction, and First-Principles for Semantic-Driven Material Design

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  11. Enhanced extrapolative machine learning for designing high‐performance multi‐principal‐element superalloys

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  12. High-Throughput Calculations and Machine Learning for Discovering Halide-Type Solid-State Electrolyte Materials

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  13. Leveraging Language Model, Crystal Structure Prediction and First-Principles Calculation for Material Design

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  14. AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects

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  15. Artificial intelligence in materials science and chemistry: Past, present and future trajectories

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  16. Large Language Models (LLMs) for Materials Design

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  17. Overcoming the intermediate-temperature embrittlement of high-strength Ni-Co-base wrought superalloy via C addition

    Scripta Materialia · 2025-12-20

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  18. Factors Influencing Impact Toughness Anisotropy in Single-Pass Low-Alloy Steel Welds

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  19. Multiband circular dichroism and data-driven prediction in a VO 2 /graphene chiral terahertz metasurface

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  20. Multiscale simulations of Ge–Sb–Se–Te phase-change alloys for photonic memory applications

    Journal of Materials Informatics · 2026-01-13

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  21. Viscosity prediction of refining slag based on machine learning with domain knowledge

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  22. Experimental investigation and machine learning prediction of stress relaxation resistance in C17200 alloy under aging treatment

    Journal of Alloys and Compounds · 2026-02-07

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  23. Alloy design paradigms in additive manufacturing: a new era of material innovation

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  24. A Review on Cracking in Laser Additive Manufacturing of Nickel‐Based Superalloys: Types, Formation Mechanisms, and Suppression Strategies

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  25. Synergistic enhancement of creep and corrosion resistances in a novel Al-containing high-Si reduced-activation ferritic/martensitic alloy

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  26. Cluster-model-embedded first-principles study of thermodynamic stability and elastic properties in (Zr, Ti)Cx carbides

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  27. Machine learning-assisted high-entropy alloy discovery: a perspective

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  34. Organizational morphology reconstruction and virtual sample expansion based on generative adversarial networks

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  35. CALPHAD-type model aided elastic properties screening across the full compositional space of BCC Mo-Nb-ta-Ti alloys

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