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The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In…

Materials Science · Physics 2025-04-14 Yuxuan Zeng , Wenhao Xie , Wei Cao , Tan Peng , Yue Hou , Ziyu Wang , Jing Shi

The role of artificial intelligence (AI) in material science and engineering (MSE) is becoming increasingly important as AI technology advances. The development of high-performance computing has made it possible to test deep learning (DL)…

Machine Learning · Computer Science 2023-04-28 Lipichanda Goswami , Manoj Deka , Mohendra Roy

Artificial intelligence (AI) is rapidly emerging as an enabling tool for solving various complex materials design problems. This paper aims to review recent advances in AI-driven materials-by-design and their applications to energetic…

Materials Science · Physics 2023-05-12 Joseph B. Choi , Phong C. H. Nguyen , Oishik Sen , H. S. Udaykumar , Stephen Baek

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Thermoelectric materials can generate clean energy by transforming waste heat into electricity. The effectiveness of thermoelectric materials is measured by the dimensionless figure of merit, ZT. The quest for high ZT materials has drawn…

Materials Science · Physics 2025-09-03 Chung T. Ma , S. Joseph Poon

High throughput experimentation tools, machine learning (ML) methods, and open material databases are radically changing the way new materials are discovered. From the experimentally driven approach in the past, we are moving quickly…

Materials Science · Physics 2025-08-06 Albertus Denny Handoko , Riko I Made

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Machine Learning · Computer Science 2021-12-21 Simiao Ren , Ashwin Mahendra , Omar Khatib , Yang Deng , Willie J. Padilla , Jordan M. Malof

Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…

Materials Science · Physics 2022-12-14 Luis M. Antunes , Keith T. Butler , Ricardo Grau-Crespo

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial-and-error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence (AI), have…

Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…

Applied Physics · Physics 2024-03-12 Kaidong Song , A. N. M. Tanvir , Md Omarsany Bappy , Yanliang Zhang

The discovery of high-performance thermoelectric (TE) materials for advancing green energy harvesting from waste heat is an urgent need in the context of looming energy crisis and climate change. The rapid advancement of machine learning…

Materials Science · Physics 2026-03-26 Shoeb Athar , Philippe Jund

Artificial intelligence is gaining strength and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems and processes can be devised and optimized thanks to machine learning…

Materials Science · Physics 2022-09-29 Cefe López

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

In recent years, materials informatics, which combines data science and artificial intelligence (AI), has garnered significant attention owing to its ability to accelerate material development, reduce costs, and enhance product design.…

Computational Physics · Physics 2025-02-11 Wenyang Ding , Jiang Guo , Meng An , Koji Tsuda , Junichiro Shiomi

Artificial Intelligence is rapidly transforming materials science and engineering, offering powerful tools to navigate complexity, accelerate discovery, and optimize material design in ways previously unattainable. Driven by the…

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

Additive Manufacturing (AM) is transforming the manufacturing sector by enabling efficient production of intricately designed products and small-batch components. However, metal parts produced via AM can include flaws that cause inferior…

Computer Vision and Pattern Recognition · Computer Science 2024-11-05 Duy Nhat Phan , Sushant Jha , James P. Mavo , Erin L. Lanigan , Linh Nguyen , Lokendra Poudel , Rahul Bhowmik

Heterogeneous materials, crucial in various engineering applications, exhibit complex multiscale behavior, which challenges the effectiveness of traditional computational methods. In this work, we introduce the Micromechanics Transformer…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Sifan Wang , Tong-Rui Liu , Shyam Sankaran , Paris Perdikaris

Deep learning is having a tremendous impact in many areas of computer science and engineering. Motivated by this success, deep neural networks are attracting an increasing attention in many other disciplines, including physical sciences. In…

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano
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