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RESEARCH PAPER · Scientific Data · 2022

Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literature

Zheren Wang, Olga Kononova, Kevin Cruse, Tanjin He, Haoyan Huo, Yuxing Fei, Yan Zeng, Yingzhi Sun, Zijian Cai, Wenhao Q. Sun, Gerbrand Ceder

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Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literatureOriginalText-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities56Machine-Learning Rationalization and Prediction of Solid-State Synthesis Conditions79Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation118Data Extraction from Texts and Tables in Patents for Materials Informatics0MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling32Realizing the cooking recipe of materials synthesis through large language models14Interpretable Machine Learning Enabled Inorganic Reaction Classification and Synthesis Condition Prediction41Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt Engineering10Small data machine learning in materials science866The promise and pitfalls of AI for molecular and materials synthesis22Natural Language Processing Techniques for Advancing Materials Discovery: A Short Review18Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature65Extracting the Synthetic Route of Pd-Based Catalysts in Methanol Steam Reforming from the Scientific Literature7MatChat: A large language model and application service platform for materials science37Artificial Intelligence for Surface‐Enhanced Raman Spectroscopy149Research activities in the dielectric ceramics: information from data mining in literature0A Prompt Engineering Approach for Structured Data Extraction from Unstructured Text Using Conversational LLMs16Text Mining the Literature to Inform Experiments and Rationalize Impurity Phase Formation for BiFeO312Document-Level Iterative Entity and Relation Extraction for Materials Scientific Literature1Flexible, model-agnostic method for materials data extraction from text using general purpose language models42Optimal thermodynamic conditions to minimize kinetic by-products in aqueous materials synthesis26Accelerating materials language processing with large language models78Structured information extraction from scientific text with large language models734Extracting accurate materials data from research papers with conversational language models and prompt engineering354Precursor Symmetry Triggered Modulation of Fluorescence Quantum Yield in Graphene Quantum Dots44Leveraging language representation for materials exploration and discovery47Exploring solvation structure and transport behavior for rational design of advanced electrolytes for next generation of lithium batteries15Named entity recognition in the perovskite field based on convolutional neural networks and MatBERT8Machine learning for analyses and automation of structural characterization of polymer materials43How Well Do Large Language Models Understand Tables in Materials Science?17Dielectric Ceramics Database Automatically Constructed by Data Mining in the Literature3A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes16Design of functional and sustainable polymers assisted by artificial intelligence231Impact of data bias on machine learning for crystal compound synthesizability predictions16Unified Language of Operation Units for Robot-Executable Synthesis Protocols0Auto-generating a database on the fabrication details of perovskite solar devices7Exploring the development of electrocatalysts through an automated comprehensive literature review using NLP0Foundation models for materials discovery – current state and future directions102LLM-Driven Synthesis Planning for Quantum Dot Materials Development7Applications of natural language processing and large language models in materials discovery132Large Language Models Assisted Materials Development: Case of Predictive Analytics for Oxygen Evolution Reaction Catalysts of (Oxy)hydroxides16Intelligent Systems for Inorganic Nanomaterial Synthesis38Rapid Adaptation of Chemical Named Entity Recognition Using Few-Shot Learning and LLM Distillation15Language models for materials discovery and sustainability: Progress, challenges, and opportunities26Named Entity Recognition Models for Machine Learning Interatomic Potentials: A User‐Centric Approach to Knowledge Extraction from Scientific Literature0Natural-Language-Interfaced Robotic Synthesis for AI-Copilot-Assisted Exploration of Inorganic Materials23Automated construction of inorganic materials databases and materials discovery based on large language models0Accurate prediction of synthesizability and precursors of 3D crystal structures via large language models33Artificial Intelligence for Materials Discovery, Development, and Optimization171Various Reduced Graphene Oxide Green Synthetic Routes: Comparing the Cost Procedures37Dataset exploring the atomic scale structure and ionic dynamics of polyanion sodium cathode materials2Steering towards safe self-driving laboratories41Chat-rgie: precision extraction of rice germplasm data using large language models and prompt engineering1Epidemiologic Method Review at Scale: Assessing Charlson Comorbidity Versioning Using a Large Language Model1Hydrothermal synthesis of BiOX and its photocatalytic performance0Synergistic effect of the one-pot formation of MnO2-Fe-Nx/carbon nanocomposites on the bifunctional catalytic activity for the oxygen reduction and evolution reactions1Few-shot learning breaks the data bottlenecks in perovskite materials design2Distilling Knowledge from Catalysis Literature with Long-Context Large Language Model Agents24Recent advances in machine learning-driven discovery of alloy electrocatalysts for hydrogen evolution reaction5Exploring citation behavior of national self-references0Towards Fully-Automated Materials Discovery via Large-Scale Synthesis Dataset and Expert-Level LLM-as-a-Judge1Automated Benchtop Synthesis of a Quadrillion-Plus Member Core@Multishell Nanoparticle Library Using a Massively Generalizable Nanochemical Reaction5Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model6Utilizing large language models for automated extraction of radio-frequency circuit metrics from scientific publications1From literature to lab: LLM-powered catalyst synthesis protocol generation0Thermodynamic assessment of machine learning models for solid-state synthesis prediction0What are the limits to biomedical research acceleration through general-purpose AI?3Data-Driven Prediction of Tensile Strength in Heat-Treated Steels Using Random Forests for Sustainable Materials Design3Artificial intelligence for energy materials research: From classical machine learning to large models4A Comprehensive Review of the Computational Approaches for Structure–Property Prediction of High Entropy Materials0Harnessing large language models driven literature mining and closed-loop design for all-inorganic perovskites0From Discovery to Deliverables: Bridging the Machine Learning, Synthesis, and Characterization Gap in Nanoscale Materials1A Large-Scale Nanocrystal Database with Aligned Synthesis and Properties, Enabling Generative Inverse Design0Predicting Inorganic Material Synthesis Pathways Based on Language Models0A Data-Driven Framework for Classification and Retrieval of Inorganic Materials Synthesis Recipes0AI for Accelerated Materials Discovery: From Generative Design to Autonomous Realization2Skill-Based Autonomous Agents for Material Creep Database Construction0From prediction to realization: large language models and AI agents for inorganic materials discovery1New Frontiers in Single-Atom Catalysis: Active-Site Dynamics and AI-Enabled Design1An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space0MXLLM: An integrated literature-to-experiment framework for MXene electromagnetic absorbers0From Coprecipitation to Nanostructure: Formation, Morphology, and Reactive-Site Accessibility in Fe-Containing Binary Layered Double Hydroxides0

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  1. Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities

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    Kevin Cruse, Amalie Trewartha, Sang‐Hoon Lee, Zheren Wang, Haoyan Huo, Tanjin He, Olga Kononova, Anubhav Jain, Gerbrand Ceder

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  2. Machine-Learning Rationalization and Prediction of Solid-State Synthesis Conditions

    Chemistry of Materials · 2022-08-05

    Haoyan Huo, Christopher J. Bartel, Tanjin He, Amalie Trewartha, Alexander Dunn, Bin Ouyang, Anubhav Jain, Gerbrand Ceder

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  3. Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

    Progress in Materials Science · 2022-11-11

    Yunchao Xie, Kianoosh Sattari, Chi Zhang, Jian Lin

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  4. Data Extraction from Texts and Tables in Patents for Materials Informatics

    Journal of Computer Chemistry Japan · 2023-01-01

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  5. MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling

    Annual Meeting of the Association for Computational Linguistics (ACL) · 2023-01-01

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  6. Realizing the cooking recipe of materials synthesis through large language models

    Journal of Materials Chemistry A · 2023-01-01

    Jaydeep Thik, Siwen Wang, Chuhong Wang, Hadi Mansourifar, Honghong Lin, Keiichi Okubo, Chen Ling

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  7. Interpretable Machine Learning Enabled Inorganic Reaction Classification and Synthesis Condition Prediction

    Chemistry of Materials · 2023-01-27

    Christopher J. Karpovich, Elton Pan, Zach Jensen, Elsa Olivetti

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  8. Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt Engineering

    arXiv (Cornell University) · 2023-03-07

    Maciej P. Polak, Dane D. Morgan

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  9. Small data machine learning in materials science

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  10. The promise and pitfalls of AI for molecular and materials synthesis

    Nature Computational Science · 2023-05-18

    Nicholas David, Wenhao Q. Sun, Connor W. Coley

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  11. Natural Language Processing Techniques for Advancing Materials Discovery: A Short Review

    International Journal of Precision Engineering and Manufacturing-Green Technology · 2023-06-06

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  12. Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature

    Science Advances · 2023-06-09

    Tanjin He, Haoyan Huo, Christopher J. Bartel, Zheren Wang, Kevin Cruse, Gerbrand Ceder

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  13. Extracting the Synthetic Route of Pd-Based Catalysts in Methanol Steam Reforming from the Scientific Literature

    Journal of Chemical Information and Modeling · 2023-10-09

    Shuyuan Li, Yunjiang Zhang, Zhaolin Fang, Kong Meng, Rui Tian, Hong He, Shaorui Sun

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  14. MatChat: A large language model and application service platform for materials science

    Chinese Physics B · 2023-10-19

    Zi-Yi 子逸 Chen 陈, Fan-Kai 帆恺 Xie 谢, Meng Wan, Yang 扬 Yuan 袁, Miao Liu, Zong-Guo 宗国 Wang 王, Sheng 胜 Meng 孟, Yan-Gang 彦棡 Wang 王

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  15. Artificial Intelligence for Surface‐Enhanced Raman Spectroscopy

    Small Methods · 2023-10-27

    Xinyuan Bi, Lynlee L. Lin, Zhou Chen, Jian Ye

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  16. Research activities in the dielectric ceramics: information from data mining in literature

    Research Square · 2023-11-08

    wenxu zhang, Xiaochao Wang

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  17. A Prompt Engineering Approach for Structured Data Extraction from Unstructured Text Using Conversational LLMs

    International Conference on Algorithms, Computing and Artificial Intelligence (ACAI) · 2023-12-22

    Aishwarya Vijayan

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  18. Text Mining the Literature to Inform Experiments and Rationalize Impurity Phase Formation for BiFeO3

    Chemistry of Materials · 2023-12-29

    Kevin Cruse, Viktoriia Baibakova, Maged Abdelsamie, Kootak Hong, Christopher J. Bartel, Amalie Trewartha, Anubhav Jain, Carolin M. Sutter‐Fella, Gerbrand Ceder

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  19. Document-Level Iterative Entity and Relation Extraction for Materials Scientific Literature

    Lecture notes in computer science · 2024-01-01

    Qiqi Geng, Jinguo You, Huayi Guo, Xingrui Huang, Jingmei Tao, Jianhong Yi

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  20. Flexible, model-agnostic method for materials data extraction from text using general purpose language models

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  21. Optimal thermodynamic conditions to minimize kinetic by-products in aqueous materials synthesis

    Nature Synthesis · 2024-01-30

    Zheren Wang, Yingzhi Sun, Kevin Cruse, Yan Zeng, Yuxing Fei, Zexuan Liu, Junyi Shangguan, Young‐Woon Byeon, KyuJung Jun, Tanjin He, Wenhao Q. Sun, Gerbrand Ceder

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  22. Accelerating materials language processing with large language models

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  23. Structured information extraction from scientific text with large language models

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  24. Extracting accurate materials data from research papers with conversational language models and prompt engineering

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  25. Precursor Symmetry Triggered Modulation of Fluorescence Quantum Yield in Graphene Quantum Dots

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  26. Leveraging language representation for materials exploration and discovery

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  29. Machine learning for analyses and automation of structural characterization of polymer materials

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  30. How Well Do Large Language Models Understand Tables in Materials Science?

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  31. Dielectric Ceramics Database Automatically Constructed by Data Mining in the Literature

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  32. A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes

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  33. Design of functional and sustainable polymers assisted by artificial intelligence

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  35. Unified Language of Operation Units for Robot-Executable Synthesis Protocols

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  36. Auto-generating a database on the fabrication details of perovskite solar devices

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  37. Exploring the development of electrocatalysts through an automated comprehensive literature review using NLP

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  39. LLM-Driven Synthesis Planning for Quantum Dot Materials Development

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  40. Applications of natural language processing and large language models in materials discovery

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  41. Large Language Models Assisted Materials Development: Case of Predictive Analytics for Oxygen Evolution Reaction Catalysts of (Oxy)hydroxides

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  42. Intelligent Systems for Inorganic Nanomaterial Synthesis

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  44. Language models for materials discovery and sustainability: Progress, challenges, and opportunities

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  45. Named Entity Recognition Models for Machine Learning Interatomic Potentials: A User‐Centric Approach to Knowledge Extraction from Scientific Literature

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  47. Automated construction of inorganic materials databases and materials discovery based on large language models

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  48. Accurate prediction of synthesizability and precursors of 3D crystal structures via large language models

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  49. Artificial Intelligence for Materials Discovery, Development, and Optimization

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  50. Various Reduced Graphene Oxide Green Synthetic Routes: Comparing the Cost Procedures

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