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Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

计算与语言 · 计算机科学 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

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…

Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show…

计算物理 · 物理学 2021-12-20 Lei Shen , Jun Zhou , Tong Yang , Ming Yang , Yuan Ping Feng

The application of machine learning in materials presents a unique challenge of dealing with scarce and varied materials data - both experimental and theoretical. Nevertheless, several state-of-the-art machine learning models for materials…

Large Language Models (LLMs) are transforming information extraction from academic literature, offering new possibilities for knowledge management. This study presents an LLM-based system designed to extract detailed information about…

信息检索 · 计算机科学 2025-05-29 Jiseung Yoo , Curran Mahowald , Meiyu Li , Wei Ai

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

材料科学 · 物理学 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics in the reduced dimension and appealing applications. Systematic discovery of functional 2D materials has been the focus of…

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,…

计算与语言 · 计算机科学 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

应用物理 · 物理学 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

Two-dimensional (2D) layered materials offer intriguing possibilities for novel physics and applications. Before any attempt at exploring the materials space in a systematic fashion, or combining insights from theory, computation and…

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

材料科学 · 物理学 2024-09-26 Santiago Miret , N M Anoop Krishnan

The screening of novel materials is an important topic in the field of materials science. Although traditional computational modeling, especially first-principles approaches, is a very useful and accurate tool to predict the properties of…

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…

数字图书馆 · 计算机科学 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

Large language models (LLMs) are increasingly touted as powerful tools for automating scientific information extraction. However, existing methods and tools often struggle with the realities of scientific literature: long-context documents,…

The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However,…

材料科学 · 物理学 2025-07-02 Zhongwei Liu , Zhimin Zhang , Xuwei Liu , Mingjia Yao , Xin He , Yuanhui Sun , Xin Chen , Lijun Zhang

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

The number of scientific journal articles and reports being published about energetic materials every year is growing exponentially, and therefore extracting relevant information and actionable insights from the latest research is becoming…

计算与语言 · 计算机科学 2019-03-04 Daniel C. Elton , Dhruv Turakhia , Nischal Reddy , Zois Boukouvalas , Mark D. Fuge , Ruth M. Doherty , Peter W. Chung

Scientific literature is one of the most significant resources for sharing knowledge. Researchers turn to scientific literature as a first step in designing an experiment. Given the extensive and growing volume of literature, the common…

计算与语言 · 计算机科学 2021-09-28 Xintong Zhao , Steven Lopez , Semion Saikin , Xiaohua Hu , Jane Greenberg

Two-dimensional (2D) materials have been a central focus of recent research because they host a variety of properties, making them attractive both for fundamental science and for applications. It is thus crucial to be able to identify…

材料科学 · 物理学 2022-11-18 Mohammad Tohidi Vahdat , Kumar Agrawal Varoon , Giovanni Pizzi
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