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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

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

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

The integration of machine learning techniques with triboelectric nanogenerators (TENGs) offers a transformative pathway for optimizing energy harvesting technologies. In this study, we propose a comprehensive framework that utilizes graph…

Materials Science · Physics 2025-09-08 Guanping Xu , Zirui Zhao , Zhong Lin Wang , Hai-Feng Li

Fluid ferroelectrics, a recently discovered class of liquid crystals that exhibit switchable, long-range polar order, offer opportunities in ultrafast electro-optic technologies, responsive soft matter, and next-generation energy materials.…

Thermoelectric materials can achieve direct energy conversion between electricity and heat, thus can be applied to waste heat harvesting and solid-state cooling. The discovery of new thermoelectric materials is mainly based on experiments…

Materials Science · Physics 2024-05-07 Tao Fan , Artem R. Oganov

The discovery of novel materials drives industrial innovation, although the pace of discovery tends to be slow due to the infrequency of "Eureka!" moments. These moments are typically tangential to the original target of the experimental…

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

There is a family of label modification approaches including self and non-self label correction (LC), and output regularisation. They are widely used for training robust deep neural networks (DNNs), but have not been mathematically and…

Machine Learning · Computer Science 2022-09-07 Xinshao Wang , Yang Hua , Elyor Kodirov , Sankha Subhra Mukherjee , David A. Clifton , Neil M. Robertson

Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…

Materials Science · Physics 2014-09-17 Dat T. Do , S. D. Manhanti

Predicting the critical temperature $T_c$ of new superconductors is a notoriously difficult task, even for electron-phonon paired superconductors for which the theory is relatively well understood. Early attempts by McMillan and Allen and…

Superconductivity · Physics 2019-11-27 S. R. Xie , G. R. Stewart , J. J. Hamlin , P. J. Hirschfeld , R. G. Hennig

Thermoelectric materials allow the direct conversion of waste heat into electricity, and novel materials are being investigated for this purpose. Recently, doped Bi$_2$O$_2$Se has shown high application potential. In this study, we discuss…

We present a data-driven approach for accelerating the discovery of high-performance CoSb$_3$-based skutterudites by curating a comprehensive dataset of compositions with various filler elements from over 300 research articles. Leveraging…

Materials Science · Physics 2026-04-08 Yagnik Bandyopadhyay , Dylan Noel Serrao , Houlong L. Zhuang

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…

Thermoelectrics (TEs) are promising candidates for energy harvesting with performance quantified by figure of merit, $ZT$. To accelerate the discovery of high-$ZT$ materials, efforts have focused on identifying compounds with low thermal…

Materials Science · Physics 2026-04-28 Yifan Sun , Zhi Li , Tetsuya Imamura , Yuji Ohishi , Chris Wolverton , Ken Kurosaki

Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease LTC. However, such trials have yielded successes only within…

Materials Science · Physics 2015-11-18 Atsuto Seko , Atsushi Togo , Hiroyuki Hayashi , Koji Tsuda , Laurent Chaput , Isao Tanaka

Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

Materials Science · Physics 2026-02-03 Shoeb Athar , Adrien Mecibah , Philippe Jund

Systemic optimization of thermoelectric materials is arduous due to their conflicting electrical and thermal properties. A strategy based on Design of Experiments and machine learning is developed to optimize the thermoelectric efficiency…

Extreme learning machine (ELM) as a neural network algorithm has shown its good performance, such as fast speed, simple structure etc, but also, weak robustness is an unavoidable defect in original ELM for blended data. We present a new…

Machine Learning · Computer Science 2014-09-24 Bo Han , Bo He , Rui Nian , Mengmeng Ma , Shujing Zhang , Minghui Li , Amaury Lendasse

The thermoelectric characteristics of lead selenium (PbSe) doped with gallium (Ga) are investigated in this study. When the lead sulfide (PbSe) is tuned with appropriate dopants, it exhibits satisfactory ZT values, hence making it a…

Materials Science · Physics 2025-04-01 Md. Moklesur Rahman , Md Kamal Hossain , Fateha Samad , Fysol Ibna Abbas
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