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The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated…

Materials Science · Physics 2026-04-28 Zhanzhao Li , Kengran Yang , Qiyao He , Kai Gong

Data-driven materials discovery requires large-scale experimental datasets, yet most of the information remains trapped in unstructured literature. Existing extraction efforts often focus on a limited set of features and have not addressed…

Computation and Language · Computer Science 2025-10-08 Xin Wang , Anshu Raj , Matthew Luebbe , Haiming Wen , Shuozhi Xu , Kun Lu

Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…

Digital Libraries · Computer Science 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from published literature. We used natural language processing (NLP) methods to automatically extract material property…

Accurate and comprehensive material databases extracted from research papers are crucial for materials science and engineering, but their development requires significant human effort. With large language models (LLMs) transforming the way…

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

Thermoelectric materials provide a sustainable way to convert waste heat into electricity. However, data-driven discovery and optimization of these materials are challenging because of a lack of a reliable database. Here we developed a…

Materials Science · Physics 2025-01-03 Suman Itani , Yibo Zhang , Jiadong Zang

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first…

Machine Learning · Computer Science 2026-03-10 Subham Ghosh , Abhishek Tewari

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…

Scientific data are widely dispersed across research articles and are often reported inconsistently across text, tables, and figures, making manual data extraction and aggregation slow and error-prone. We present a prompt-driven,…

Artificial Intelligence · Computer Science 2026-04-10 Koushik Rameshbabu , Jing Luo , Ali Shargh , Khalid A. El-Awady , Jaafar A. El-Awady

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

Artificial Intelligence · Computer Science 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

With the exponential increase in online scientific literature, identifying reliable domain-specific data has become increasingly important but also very challenging. Manual data collection and filtering for domain-specific scientific…

Information Retrieval · Computer Science 2026-03-10 Nikita Gautam , Doina Caragea , Ignacio Ciampitti , Federico Gomez

Objective: To develop a high-throughput biomedical relation extraction system that takes advantage of the large language models'(LLMs) reading comprehension ability and biomedical world knowledge in a scalable and evidential manner.…

Computation and Language · Computer Science 2024-03-27 Songchi Zhou , Sheng Yu

Large Language Models (LLMs) demonstrate exceptional performance in textual understanding and tabular reasoning tasks. However, their ability to comprehend and analyze hybrid text, containing textual and tabular data, remains unexplored.…

Computation and Language · Computer Science 2025-01-03 Chongjian Yue , Xinrun Xu , Xiaojun Ma , Lun Du , Zhiming Ding , Shi Han , Dongmei Zhang , Qi Zhang

Large, open datasets can accelerate ecological research, particularly by enabling researchers to develop new insights by reusing datasets from multiple sources. However, to find the most suitable datasets to combine and integrate,…

Digital Libraries · Computer Science 2025-10-07 Zehao Lu , Thijs L van der Plas , Parinaz Rashidi , W Daniel Kissling , Ioannis N Athanasiadis

This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available…

Materials Science · Physics 2024-04-23 Wonseok Lee , Yeonghun Kang , Taeun Bae , Jihan Kim

As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

Artificial Intelligence · Computer Science 2024-11-14 Chao Huang , Huichen Xiao , Chen Chen , Chunyan Chen , Yi Zhao , Shiyu Du , Yiming Zhang , He Sha , Ruixin Gu

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence…

Computation and Language · Computer Science 2022-12-13 Alexander Dunn , John Dagdelen , Nicholas Walker , Sanghoon Lee , Andrew S. Rosen , Gerbrand Ceder , Kristin Persson , Anubhav Jain
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