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The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these…

Materials Science · Physics 2023-11-03 Ziyi Chen , Fankai Xie , Meng Wan , Yang Yuan , Miao Liu , Zongguo Wang , Sheng Meng , Yangang Wang

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

Materials Science · Physics 2025-03-04 Onur Boyar , Indra Priyadarsini , Seiji Takeda , Lisa Hamada

The injection molding industry faces critical challenges in preserving and transferring field knowledge, particularly as experienced workers retire and multilingual barriers hinder effective communication. This study introduces IM-Chat, a…

Artificial Intelligence · Computer Science 2025-10-23 Junhyeong Lee , Joon-Young Kim , Heekyu Kim , Inhyo Lee , Seunghwa Ryu

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Discovering new materials can have significant scientific and technological implications but remains a challenging problem today due to the enormity of the chemical space. Recent advances in machine learning have enabled data-driven methods…

Materials Science · Physics 2024-06-21 Shuyi Jia , Chao Zhang , Victor Fung

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based materials property prediction, which hinders progress. We…

Materials Science · Physics 2024-12-03 Andre Niyongabo Rubungo , Kangming Li , Jason Hattrick-Simpers , Adji Bousso Dieng

Recently, large language models (LLMs) have achieved remarkable breakthroughs in general domains such as programming and writing, and have demonstrated strong potential in various scientific research scenarios. However, the capabilities of…

Machine Learning · Computer Science 2025-09-16 Yonghao Weng , Liqiang Gao , Linwu Zhu , Jian Huang

A college-level benchmark dataset for large language models (LLMs) in the materials science field, MaterialBENCH, is constructed. This dataset consists of problem-answer pairs, based on university textbooks. There are two types of problems:…

Computation and Language · Computer Science 2024-12-02 Michiko Yoshitake , Yuta Suzuki , Ryo Igarashi , Yoshitaka Ushiku , Keisuke Nagato

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

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…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

Materials characterization is fundamental to acquiring materials information, revealing the processing-microstructure-property relationships that guide material design and optimization. While multimodal large language models (MLLMs) have…

Computer Vision and Pattern Recognition · Computer Science 2025-09-12 Zhengzhao Lai , Youbin Zheng , Zhenyang Cai , Haonan Lyu , Jinpu Yang , Hongqing Liang , Yan Hu , Benyou Wang

Recently, FuseLLM introduced the concept of knowledge fusion to transfer the collective knowledge of multiple structurally varied LLMs into a target LLM through lightweight continual training. In this report, we extend the scalability and…

Computation and Language · Computer Science 2024-06-05 Fanqi Wan , Ziyi Yang , Longguang Zhong , Xiaojun Quan , Xinting Huang , Wei Bi

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…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Materials Science · Physics 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen

As the issue of global climate change becomes increasingly severe, the demand for research in climate science continues to grow. Natural language processing technologies, represented by Large Language Models (LLMs), have been widely applied…

Computation and Language · Computer Science 2025-06-18 Zhou Chen , Xiao Wang , Yuanhong Liao , Ming Lin , Yuqi Bai

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

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

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

Machine Learning · Computer Science 2023-09-04 Hongshuo Huang , Rishikesh Magar , Changwen Xu , Amir Barati Farimani

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye
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