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RESEARCH PAPER · Scientific Data · 2025

Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model

Sanghoon Lee, Kevin Cruse, Viktoriia Baibakova, Gerbrand Ceder, Anubhav Jain

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Text-mined dataset of solid-state syntheses with impurity phases using Large Language ModelOriginalTowards sustainable exploration of chemical spaces with machine learning0Extracting and reconstructing knowledge in materials science literature using large language models10Leveraging Large Language Models for Understanding Fundamental Principles of Catalysis0LLM-driven materials knowledge extraction: multimodal parsing, ontology, and agentic systems0From prediction to realization: large language models and AI agents for inorganic materials discovery1Accelerating synthesis at scale requires a coordinated ecosystem0

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  1. Towards sustainable exploration of chemical spaces with machine learning

    Digital Discovery · 2026-01-01

    Leonardo Rafael Medrano Sandonas, David Balcells, Tom Barnowsky, Anton S. Bochkarev, Jacqueline Cole, Volker L. Deringer, Werner Dobrautz, Adrian Ehrenhofer, Thorben Frank, Pascal Friederich, Rico Friedrich, Janine George, Luca M. Ghiringhelli, Alejandra Hinostroza Caldas, Veronika Jurásková, Hannes Kneiding, Yury Lysogorskiy, Johannes T. Margraf, Hanna Türk, O. Anatole von Lilienfield, Milica Todorović, Alexandre Tkatchenko, Mariana Rossi, Gianaurelio Cuniberti

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  2. Extracting and reconstructing knowledge in materials science literature using large language models

    Communications Materials · 2026-01-08

    Shuyuan Li, Shihao Wei, Chenyu Huang, Yunjiang Zhang, Guizhen Zhang, Shaorui Sun

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  3. Leveraging Large Language Models for Understanding Fundamental Principles of Catalysis

    The Journal of Physical Chemistry C · 2026-07-16

    Shane S. Michtavy, Sinhara M. H. D. Perera, Marc D. Porosoff

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  4. LLM-driven materials knowledge extraction: multimodal parsing, ontology, and agentic systems

    Journal of Materials Informatics · 2026-07-31

    Shuai Yang, Yimeng Wang, Qiong Tu, Nian Ran, Ying Lu

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  5. From prediction to realization: large language models and AI agents for inorganic materials discovery

    Chemical Synthesis · 2026-08-13

    Lionel Sebastian Veiga, Di Zhang, Tingyu Lu, Yiming Lu, Hao Li

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  6. Accelerating synthesis at scale requires a coordinated ecosystem

    Nature Synthesis · 2026-08-26

    Brandon R. Sutherland, Yeonghun Kang, Alán Aspuru‐Guzik

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