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Dusty plasmas are ubiquitous throughout the universe, spanning laboratory and industrial plasmas, fusion devices, planetary environments, cometary comae, and interstellar media. Despite decades of research, many aspects of their behavior…

Infographic charts are a powerful medium for communicating abstract data by combining visual elements (e.g., charts, images) with textual information. However, their visual and structural richness poses challenges for large vision-language…

计算机视觉与模式识别 · 计算机科学 2025-10-17 Zhen Li , Duan Li , Yukai Guo , Xinyuan Guo , Bowen Li , Lanxi Xiao , Shenyu Qiao , Jiashu Chen , Zijian Wu , Hui Zhang , Xinhuan Shu , Shixia Liu

Scientific discovery evolves from the experimental, through the theoretical and computational, to the current data-intensive paradigm. Materials science is no exception, especially for computational materials science. In recent years, great…

材料科学 · 物理学 2018-04-24 Tao Qiang , Honghong Gao

Open material databases storing hundreds of thousands of material structures and their corresponding properties have become the cornerstone of modern computational materials science. Yet, the raw outputs of the simulations, such as the…

Materials informatics (MI), emerging from the integration of materials science and data science, is expected to significantly accelerate material development and discovery. The data used in MI are derived from both computational and…

材料科学 · 物理学 2025-04-09 Yusuke Hashimoto , Xue Jia , Hao Li , Takaaki Tomai

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

With the advent of artificial intelligence and machine learning, various domains of science and engineering communities have leveraged data-driven surrogates to model complex systems through fusing numerous sources of information (data)…

The past decade has seen rapid growth in the number of experimentally realized two-dimensional (2D) materials with diverse chemical and physical properties. However, information on their crystal structure, synthesis routes, and measured or…

The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

化学物理 · 物理学 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

This perspective explores the evolution of materials informatics, from its foundational roots in physics and information theory to its maturation through artificial intelligence (AI). We trace the field's trajectory from early milestones to…

计算物理 · 物理学 2026-01-12 Turab Lookman , YuJie Liu , Zhibin Gao

Our understanding of supercooled liquids and glasses has lagged significantly behind that of simple liquids and crystalline solids. This is in part due to the many possibly relevant degrees of freedom that are present due to the disorder…

机器学习 · 统计学 2018-08-01 Samuel S. Schoenholz

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

材料科学 · 物理学 2020-06-12 Kevin Maik Jablonka , Daniele Ongari , Seyed Mohamad Moosavi , Berend Smit

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges to the efficient discovery and integration of new materials. Traditional methods, often reliant on costly and…

计算与语言 · 计算机科学 2025-05-16 Yanpeng Ye , Jie Ren , Shaozhou Wang , Yuwei Wan , Imran Razzak , Bram Hoex , Haofen Wang , Tong Xie , Wenjie Zhang

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

人工智能 · 计算机科学 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

机器学习 · 计算机科学 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Understanding and predicting the emergence of novel materials is a fundamental challenge in condensed matter physics, materials science and technology. With the rapid growth of materials databases in both size and reliability, the challenge…

材料科学 · 物理学 2025-02-14 Jacopo Moi , Davide Spallarossa , Stefano Bonetti , Raffaella Burioni , Guido Caldarelli

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

材料科学 · 物理学 2023-09-27 Sue Sin Chong , Yi Sheng Ng , Hui-Qiong Wang , Jin-Cheng Zheng

Recent advances in Foundation Models for Materials Science are poised to revolutionize the discovery, manufacture, and design of novel materials with tailored properties and responses. Although great strides have been made, successes have…

机器学习 · 计算机科学 2025-06-16 Michael Buzzy , Andreas Robertson , Peng Chen , Surya Kalidindi

Galaxy mergers, the dynamical process during which two galaxies collide, are among the most spectacular phenomena in the Universe. During this process, the two colliding galaxies are tidally disrupted, producing significant visual features…

天体物理仪器与方法 · 物理学 2021-02-04 Maxwell X. Cai , Jeroen Bédorf , Vikram A. Saletore , Valeriu Codreanu , Damian Podareanu , Adel Chaibi , Penny X. Qian