AI-powered open-source infrastructure for accelerating materials discovery and advanced manufacturing

Инфраструктура с открытым исходным кодом на основе искусственного интеллекта для ускорения поиска материалов и передового производства
Lokendra Pal, Mariangeles Salas, Anand Singh, Carlos Pignataro, Anand Singh
2026-02-17

AI-driven infrastructureadvanced manufacturingblockchain-based data sharingmaterials discoveryself-driving laboratories
Abstract Recent advances in artificial intelligence (AI) offer significant opportunities to drive industrial transformation by addressing growing societal demands for products, techno-economic efficiency, and reduced carbon footprints. This review presents a structured framework for building transparent, scalable, and sustainable AI-driven infrastructures spanning conceptualization to commercialization for materials discovery and advanced manufacturing. The framework traces the evolution of materials development from empirical approaches toward integrated AI-enabled platforms, emphasizing open-source tools that unify data acquisition, modeling, simulation, and deployment to democratize access, foster collaboration, and enhance reproducibility. Key enabling components include self-driving laboratories for real-time optimization, advanced computational approaches for high-fidelity data, and blockchain-based mechanisms for secure data sharing, provenance, and supply-chain traceability. The review further discusses the importance of machine learning for materials property prediction, synthesis and process optimization, together with scalable cloud–edge architectures that improve efficiency and reduce latency. Emphasis is placed on lifecycle-aware design, techno-economic analysis, and ethical AI principles to align industrial development with global sustainability goals.
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Blockchain-based data-sharing mechanisms support secure information exchange, provenance tracking, and supply-chain traceability across materials and manufacturing workflows.
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Cloud–edge architectures, lifecycle-aware design, techno-economic analysis, and ethical AI are identified as essential for efficient and sustainability-aligned industrial development.
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Open-source platforms integrating data acquisition, modeling, simulation, and deployment can democratize access, strengthen collaboration, and improve reproducibility in materials development.
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Self-driving laboratories, high-fidelity computational methods, and machine learning enable real-time optimization, materials property prediction, and synthesis or process optimization.
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The review proposes a structured framework for transparent, scalable, and sustainable AI infrastructure spanning materials discovery through commercialization.

AI-driven open-source infrastructure for materials discovery and advanced manufacturing

The framework, enabling components, and lifecycle-oriented capabilities for transparent, scalable, sustainable, and reproducible AI-enabled materials development and manufacturing

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2026-02-17
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Lokendra Pal
Mariangeles Salas
Anand Singh
Carlos Pignataro
Anand Singh
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