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Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we…

Materials Science · Physics 2025-10-01 Paolo De Angelis , Giovanni Trezza , Giulio Barletta , Pietro Asinari , Eliodoro Chiavazzo

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

The thermoelastic metamaterial based on a bimaterial hybrid-honeycomb structure, exhibiting simultaneously negative Poisson's ratios and negative thermal expansion coefficients is very promising for various application. This work is…

Applied Physics · Physics 2026-02-25 Xiang-Long Peng , Bai-Xiang Xu

Utilizing Convolutional Neural Networks (CNNs), Recurrent Neural Networks (RNNs), and Generative Adversarial Networks (GANs), our system introduces an innovative approach to defect detection in manufacturing. This technology excels in…

Computer Vision and Pattern Recognition · Computer Science 2023-11-09 Arti Kumbhar , Amruta Chougule , Priya Lokhande , Saloni Navaghane , Aditi Burud , Saee Nimbalkar

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

Machine Learning · Computer Science 2021-03-31 Navid Zobeiry , Anoush Poursartip

Topological defects play a key role in the structures and dynamics of liquid crystals (LCs) and other ordered systems. There is a recent interest in studying defects in different biological systems with distinct textures. However, a robust…

Soft Condensed Matter · Physics 2025-01-20 Haijie Ren , Weiqiang Wang , Wentao Tang , Rui Zhang

This study proposes an Artificial Intelligence (AI) driven methodology for predicting a combination of brazed ceramic-metal composite materials. Multiple machine learning (ML) algorithms are compared with the deep learning (DL) model. The…

Applied Physics · Physics 2025-10-14 Sunita Khod , Vinay Kamma , Ravi Kumar Verma , Mayank Goswami

The rise of computation-based methods in thermal management has gained immense attention in recent years due to the ability of deep learning to solve complex 'physics' problems, which are otherwise difficult to be approached using…

Machine Learning · Computer Science 2025-09-03 Aviral Chharia , Nishi Mehta , Shivam Gupta , Shivam Prajapati

Artificial intelligence (AI) is reshaping inverse design in manufacturing, enabling high-performance discovery in materials, products, and processes. However, purely data-driven approaches often struggle in realistic manufacturing settings…

Artificial Intelligence · Computer Science 2025-08-26 Hugon Lee , Hyeonbin Moon , Junhyeong Lee , Seunghwa RYu

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits…

Many environmental remediation and energy applications (conversion and storage) for sustainability need design and development of green novel materials. Discovery processes of such novel materials are time taking and cumbersome due to large…

Materials Science · Physics 2023-11-21 Sudarson Roy Pratihar , Deepesh Pai , Manaswita Nag

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

We review recent machine-learning (ML) approaches for point defects in non-metallic materials, with an emphasis on defect formation energies. Existing studies largely fall into two categories: direct ML models that predict defect energetics…

Materials Science · Physics 2026-05-19 Yu Kumagai , Shin Kiyohara

Thermoelectric conversion using Seebeck effect for generation of electricity is becoming an indispensable technology for energy harvesting and smart thermal management. Recently, the spin-driven thermoelectric effects (STEs), which employ…

Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches…

Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno

s miniaturization of electrical and mechanical components used in modern technology progresses, there is an increasing need for high-throughput and low-cost micro-scale assembly techniques. Many current micro-assembly methods are serial in…

Computational Engineering, Finance, and Science · Computer Science 2021-07-23 Tuo Zhou , Shih-Yuan Yu , Matthew Michaels , Fangzhou Du , Lawrence Kulinsky , Mohammad Abdullah Al Faruque

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

Machine Learning · Computer Science 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune

In this paper, research on AI based modeling technique to optimize development of new alloys with necessitated improvements in properties and chemical mixture over existing alloys as per functional requirements of product is done. The…

Artificial Intelligence · Computer Science 2010-02-08 K. Soorya Prakash , S. S. Mohamed Nazirudeen , M. Joseph Malvin Raj

Scanning transmission electron microscopy (STEM) has become a cornerstone instrument for semiconductor materials metrology, enabling nanoscale analysis of complex multilayer structures that define device performance. Developing effective…