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Although the tailored metal active sites and porous architectures of MOFs hold great promise for engineering challenges ranging from gas separations to catalysis, a lack of understanding of how to improve their stability limits their use in…

Materials Science · Physics 2021-06-28 Aditya Nandy , Chenru Duan , Heather J. Kulik

Resorbable magnesium (Mg) alloys are promising candidates for temporary medical devices due to their biodegradability and favorable mechanical properties. To accelerate the design of diluted Mg alloys for implants, we developed a…

Materials Science · Physics 2026-04-23 Vickey Nandal , Vít Beneš , Pavel Baláž , Jiří Ryjáček , Karel Tesař

The recent surge in the adoption of machine learning techniques for materials design, discovery, and characterization has resulted in an increased interest and application of Image Driven Machine Learning (IDML) approaches. In this work, we…

Materials Science · Physics 2021-05-21 Arun Baskaran , Elizabeth J. Kautz , Aritra Chowdhary , Wufei Ma , Bulent Yener , Daniel J. Lewis

An exponential growth in computing power, which has brought more sophisticated and higher resolution simulations of the climate system, and an exponential increase in observations since the first weather satellite was put in orbit, are…

Atmospheric and Oceanic Physics · Physics 2024-08-20 Annalisa Bracco , Julien Brajard , Henk A. Dijkstra , Pedram Hassanzadeh , Christian Lessig , Claire Monteleoni

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

Recent advances in machine learning (ML) methods have led to substantial improvement in materials property prediction against community benchmarks, but an excellent benchmark score may not imply good generalization of performance. Here we…

Materials Science · Physics 2023-04-26 Kangming Li , Brian DeCost , Kamal Choudhary , Michael Greenwood , Jason Hattrick-Simpers

Machine learning (ML) is a rapidly evolving technology with expanding applications across various fields. This paper presents a comprehensive survey of recent ML applications in agriculture for sustainability and efficiency. Existing…

Machine Learning · Computer Science 2025-03-19 Aashu Katharria , Kanchan Rajwar , Millie Pant , Juan D. Velásquez , Václav Snášel , Kusum Deep

Machine learning (ML) has become a key tool in astronomy, driving advancements in the analysis and interpretation of complex datasets from observations. This article reviews the application of ML techniques in the identification and…

Solar and Stellar Astrophysics · Physics 2025-03-04 Guangping Li , Zujia Lu , Junzhi Wang , Zhao Wang

With the demand for renewable energy and efficient devices rapidly increasing, a need arises to find and optimize novel (nano)materials. This can be an extremely tedious process, often relying significantly on trial and error. Machine…

The extraction of Metal-Organic Frameworks (MOFs) synthesis route from literature has been crucial for the logical MOFs design with desirable functionality. The recent advent of large language models (LLMs) provides disruptively new…

Computation and Language · Computer Science 2025-02-26 Lei Shi , Zhimeng Liu , Yi Yang , Weize Wu , Yuyang Zhang , Hongbo Zhang , Jing Lin , Siyu Wu , Zihan Chen , Ruiming Li , Nan Wang , Zipeng Liu , Huobin Tan , Hongyi Gao , Yue Zhang , Ge Wang

Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…

Since the surge of data in materials science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging…

Soft Condensed Matter · Physics 2024-08-12 Maya M. Martirossyan , Hongjin Du , Julia Dshemuchadse , Chrisy Xiyu Du

The integration of machine learning and robotics into thin film deposition is transforming material discovery and optimization. However, challenges remain in achieving a fully autonomous cycle of deposition, characterization, and…

Materials Science · Physics 2026-02-24 Yuanlong Zheng , Connor Blake , Layla Mravac , Fengxue Zhang , Yuxin Chen , Shuolong Yang

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Materials Science · Physics 2022-03-22 Sanket Kadulkar , Zachary M. Sherman , Venkat Ganesan , Thomas M. Truskett

The synthesis of a metasurface exhibiting a specific set of desired scattering properties is a time-consuming and resource-demanding process, which conventionally relies on many cycles of full-wave simulations. It requires an experienced…

Signal Processing · Electrical Eng. & Systems 2021-09-15 Parinaz Naseri , Sean V. Hum

Traditional design cycles for new materials and assemblies have two fundamental drawbacks. The underlying physical relationships are often too complex to be precisely calculated and described. Aside from that, many unknown uncertainties,…

Interatomic potential models based on machine learning (ML) are rapidly developing as tools for materials simulations. However, because of their flexibility, they require large fitting databases that are normally created with substantial…

Materials Science · Physics 2019-11-19 Noam Bernstein , Gábor Csányi , Volker L. Deringer

Machine learning models have recently emerged to predict whether hypothetical solid-state materials can be synthesized. These models aim to circumvent direct first-principles modeling of solid-state phase transformations, instead learning…

Materials Science · Physics 2026-02-05 Jane Schlesinger , Simon Hjaltason , Nathan J. Szymanski , Christopher J. Bartel

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

In the last years machine learning (ML) has moved from a academic endeavor to a pervasive technology adopted in almost every aspect of computing. ML-powered products are now embedded in our digital lives: from recommendations of what to…

Machine Learning · Computer Science 2021-07-20 Piero Molino , Christopher Ré