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Density is one of the most commonly measured or estimated materials properties, especially for glasses and melts that are of significant interest to many fields, including metallurgy, geology, materials science and sustainable cements.…

Materials Science · Physics 2022-09-07 Kai Gong , Elsa Olivetti

Due to their inherent variabilities,nanomaterial-based sensors are challenging to translate into real-world applications,where reliability/reproducibility is key.Recently we showed Bayesian inference can be employed on engineered…

Applied Physics · Physics 2020-10-27 Davoud Hejazi , Shuangjun Liu , Amirreza Farnoosh , Sarah Ostadabbas , Swastik Kar

The presented study aims to provide an efficient and reliable tool for rapid estimation of the shear capacity of a TRM-strengthened masonry wall. For this purpose, a data-driven methodology based on a machine learning system is proposed…

Signal Processing · Electrical Eng. & Systems 2024-10-08 Petros Lazaridis , Athanasia Thomoglou

Semiconductor materials provide a compelling platform for quantum technologies (QT), and the properties of a vast amount of materials can be found in databases containing information from both experimental and theoretical explorations.…

Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. However, these systems often exhibit complex surface…

Materials Science · Physics 2025-07-08 Lukas Hörmann , Wojciech G. Stark , Reinhard J. Maurer

Experimentally [1-38] and computationally [39-50] validated machine learning (ML) articles are sorted based on the size of the training data: 1-100, 101-10000, and 10000+ in a comprehensive set summarizing legacy and recent advances in the…

Materials Science · Physics 2023-03-20 Sterling G. Baird , Marianne Liu , Hasan M. Sayeed , Taylor D. Sparks

Artificial intelligence and machine learning models deployed on edge devices, e.g., for quality control in Additive Manufacturing (AM), are frequently small in size. Such models usually have to deliver highly accurate results within a short…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-26 Marcel Aach , Cyril Blanc , Andreas Lintermann , Kurt De Grave

The first version of the machine learning greybox model i-Melt was trained to predict latent and observed properties of K$_2$O-Na$_2$O-Al$_2$O$_3$-SiO$_2$ melts and glasses. Here, we extend the model compositional range, which now allows…

Materials Science · Physics 2023-07-11 Charles Le Losq , Barbara Baldoni

We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…

Materials Science · Physics 2023-11-07 Yagyank Srivastava , Ankit Jain

Accurate prediction of lithium-ion battery lifespan is vital for ensuring operational reliability and reducing maintenance costs in applications like electric vehicles and smart grids. This study presents a hybrid learning framework for…

Machine Learning · Computer Science 2025-04-28 He Shanxuan , Lin Zuhong , Yu Bolun , Gao Xu , Long Biao , Yao Jingjing

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

Finding the "ideal" catalyst is a matter of great interest in the communities of chemists and material scientists, partly because of its wide spectrum of industrial applications. Information regarding a physical parameter termed "adsorption…

Materials Science · Physics 2019-05-08 Sanjay Nayak , Satadeep Bhattacharjee , Jung-Hae Choi , Seung Cheol Lee

Machine learning (ML) models utilizing structure-based features provide an efficient means for accurate property predictions across diverse chemical spaces. However, obtaining equilibrium crystal structures typically requires expensive…

Materials Science · Physics 2021-04-22 Yunxing Zuo , Mingde Qin , Chi Chen , Weike Ye , Xiangguo Li , Jian Luo , Shyue Ping Ong

Given the strong dependence of material structure and properties on the length and strength of constituent bonds and the fact that surface adsorption and chemical reactions are initiated by the formation of bonds between two systems,…

Materials Science · Physics 2022-03-02 Eiki Suzuki , Kiyou Shibata , Teruyasu Mizoguchi

The transition to a low-carbon economy demands efficient and sustainable energy-storage solutions, with hydrogen emerging as a promising clean-energy carrier and with metal hydrides recognized for their hydrogen-storage capacity. Here, we…

Superconductors have been among the most fascinating substances, as the fundamental concept of superconductivity as well as the correlation of critical temperature and superconductive materials have been the focus of extensive investigation…

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…

Materials Science · Physics 2021-07-09 Pierre-Paul De Breuck , Geoffroy Hautier , Gian-Marco Rignanese

Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic and optoelectronic applications. Despite…

Machine learning models are increasingly used in many engineering fields thanks to the widespread digital data, growing computing power, and advanced algorithms. Artificial neural networks (ANN) is the most popular machine learning model in…

Materials Science · Physics 2020-10-20 Xin Liu , Su Tian , Fei Tao , Haodong Du , Wenbin Yu

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…