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Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

Low lattice thermal conductivity is essential for high thermoelectric performance of a material. Lattice thermal conductivity is often computed using density functional theory (DFT), typically at a high computational cost. Training machine…

Materials Science · Physics 2021-09-30 Rasmus Tranås , Ole Martin Løvvik , Oliver Tomic , Kristian Berland

Combinatorial and guided screening of materials space with density-functional theory and related approaches has provided a wealth of hypothetical inorganic materials, which are increasingly tabulated in open databases. The OPTIMADE API is a…

While machine learning (ML) has shown increasing effectiveness in optimizing materials properties under known physics, its application in challenging conventional wisdom and discovering new physics still remains challenging due to its…

Mesoscale and Nanoscale Physics · Physics 2020-12-17 Prabudhya Roy Chowdhury , Xiulin Ruan

The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…

Materials Science · Physics 2021-02-12 Olivia F. Dippo , Kevin R. Kaufmann , Kenneth S. Vecchio

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

Magnetic cooling based on the magnetocaloric effect is a promising solid-state refrigeration technology for a wide range of applications in different temperature ranges. Previous studies have mostly focused on near room temperature (300 K)…

Materials Science · Physics 2024-03-06 Jiaoyue Yuan , Runqing Yang , Lokanath Patra , Bolin Liao

Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machine learning approaches have been increasingly adopted for…

Materials Science · Physics 2021-09-08 Ruimin Ma , Hanfeng Zhang , Jiaxin Xu , Yoshihiro Hayashi , Ryo Yoshida , Junichiro Shiomi , Tengfei Luo

The predictive performance screening of novel compounds can significantly promote the discovery of efficient, cheap, and non-toxic thermoelectric materials. Large efforts to implement machine-learning techniques coupled to materials…

Applied Physics · Physics 2020-12-07 Patrizio Graziosi , Chathurangi Kumarasinghe , Neophytos Neophytou

Decades accumulation of theory simulations lead to boom in material database, which combined with machine learning methods has been a valuable driver for the data-intensive material discovery, i.e., the fourth research paradigm. However,…

Materials Science · Physics 2025-02-10 Tiancheng Ma , Zihan Zhang , Shuting Wu , Defang Duan , Tian Cui

Experimental validation of chemical processes is slow and costly, limiting exploration in materials discovery. Machine learning can prioritize promising candidates, but existing data in patents and literature is heterogeneous and difficult…

Chemical Physics · Physics 2025-12-09 Mikhail Tsitsvero , Atsuyuki Nakao , Hisaki Ikebata

Cellular solids and micro-lattices are a class of lightweight architected materials that have been established for their unique mechanical, thermal, and acoustic properties. It has been shown that by tuning material architecture, a…

Materials Science · Physics 2024-03-12 Shengzhi Luan , Enze Chen , Joel John , Stavros Gaitanaros

This work presents a framework for automatically extracting physical object properties, such as material composition, mass, volume, and stiffness, through robot manipulation and a database of object measurements. The framework involves…

Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…

Machine Learning · Computer Science 2019-01-30 Oshin Olesegun , Ryan Noraas , Michael Giering , Nagendra Somanath

We present a multimodal deep learning (MDL) framework for predicting physical properties of a 10-dimensional acrylic polymer composite material by merging physical attributes and chemical data. Our MDL model comprises four modules,…

Soft Condensed Matter · Physics 2023-11-28 Shun Muroga , Yasuaki Miki , Kenji Hata

Accurate knowledge of temperatures in power semiconductor modules is crucial for proper thermal management of such devices. Precise prediction of temperatures allows to operate the system at the physical limit of the device avoiding…

Signal Processing · Electrical Eng. & Systems 2020-06-15 Jakub Ševčík , Václav Šmídl , Ondřej Straka

When designing new materials, it is often necessary to design a material with specific desired properties. Unfortunately, as new design variables are added, the search space grows exponentially, which makes synthesizing and validating the…

Machine Learning · Computer Science 2025-10-10 Shaan Pakala , Aldair E. Gongora , Brian Giera , Evangelos E. Papalexakis

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Historically, materials discovery has been driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and…

Materials Science · Physics 2017-06-28 Olexandr Isayev , Corey Oses , Cormac Toher , Eric Gossett , Stefano Curtarolo , Alexander Tropsha

Different factors such as thermal comfort, humidity, air quality, and noise have significant combined effects on the acceptability and quality of the activities performed by the building occupants who spend most of their times indoors.…