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The combination of high-throughput experimentation techniques and machine learning (ML) has recently ushered in a new era of accelerated material discovery, enabling the identification of materials with cutting-edge properties. However, the…

Near-field optical microscopy can be used as a viable route to understand the nanoscale material properties below the diffraction limit. On the other hand, atomically thin two-dimensional (2D) transition metal dichalcogenides (TMDs) are the…

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

Soft Condensed Matter · Physics 2025-09-23 Jayashrita Debnath , Gerhard Hummer

We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

Computational Physics · Physics 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

Thin-film solid-state metal dealloying (thin-film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration…

Deep Neural Networks (DNNs) have achieved great success in a variety of machine learning (ML) applications, delivering high-quality inferencing solutions in computer vision, natural language processing, and virtual reality, etc. However,…

Machine Learning · Computer Science 2022-08-29 Xiaofan Zhang , Yao Chen , Cong Hao , Sitao Huang , Yuhong Li , Deming Chen

Two-dimensional (2D) materials are among the most promising candidates for next-generation electronics due to their atomic thinness, allowing for flexible transparent electronics and ultimate length scaling. Thus far, atomically-thin p-n…

Efficient and timely calculations of Machine Learning (ML) algorithms are essential for emerging technologies like autonomous driving, the Internet of Things (IoT), and edge computing. One of the primary ML algorithms used in such systems…

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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

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

CONSPECTUS: Two-dimensional (2D) compound materials are promising materials for use in electronics, optoelectronics, flexible devices, etc. because they are ultrathin and cover a wide range of properties. Among all methods to prepare 2D…

Materials Science · Physics 2020-12-11 Lei Tang , Junyang Tan , Huiyu Nong , Bilu Liu , Hui-Ming Cheng

Machine learning (ML) with in situ diagnostics offers a transformative approach to accelerate, understand, and control thin film synthesis by uncovering relationships between synthesis conditions and material properties. In this study, we…

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Microfluidic devices offer numerous advantages in medical applications, including the capture of single cells in microwell-based platforms for genomic analysis. As the cost of sequencing decreases, the demand for high-throughput single-cell…

Computational Engineering, Finance, and Science · Computer Science 2024-09-13 Xueying Zhao , Yan Chen , Yuefu Jiang , Amie Radenbaugh , Jamie Moskwa , Devon Jensen

Two-dimensional nanomaterials, such as graphene, have been extensively studied because of their outstanding physical properties. Structure and geometry optimization of nanopores on such materials is beneficial for their performances in…

Machine Learning · Computer Science 2022-01-19 Yuyang Wang , Zhonglin Cao , Amir Barati Farimani

Micro/nano electro-mechanical systems (MEMS/NEMS) are constantly attracting an increasing attention for their relevant technological applications in fields ranging from biology, medicine, ecology, energy to industry. Most of the…

Materials Science · Physics 2021-03-10 Omar Tricinci , Marco Carlotti , Andrea Desii , Fabian Meder , Virgilio Mattoli

Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…

Materials Science · Physics 2023-06-13 Ashwini Gupta , Anindya Bhaduri , Lori Graham-Brady

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