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Integrating robotically driven contact-based material characterization techniques into self-driving laboratories can enhance measurement quality, reliability, and throughput. While deep learning models support robust autonomy, current…

Robotics · Computer Science 2024-12-31 Alexander E. Siemenn , Basita Das , Kangyu Ji , Fang Sheng , Tonio Buonassisi

High-throughput synthesis of solution-processable structurally variable small-molecule semiconductors is both an opportunity and a challenge. A large number of diverse molecules provide a possibility for quick material discovery and machine…

Photonic integrated circuits offer a compact and stable platform for generating, manipulating, and detecting light. They are instrumental for classical and quantum applications. Imperfections stemming from fabrication constraints,…

Computational materials discovery relies on the generation of plausible crystal structures. The plausibility is typically judged through density functional theory methods which, while typically accurate at zero Kelvin, often favor…

Computational Engineering, Finance, and Science · Computer Science 2025-11-04 Thorben Prein , Willis O'Leary , Aikaterini Flessa Savvidou , Elchaïma Bourneix , Joonatan E. M. Laulainen

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…

This paper addresses the gap between the capabilities and utilisation of robotics and automation in laboratory settings and builds upon the concept of Self Driving Labs (SDL). %to significantly impact laboratory operations. We introduce an…

Systems and Control · Electrical Eng. & Systems 2024-02-20 Shayan Azizi , Ehsan Asadi , Shaun Howard , Benjamin W. Muir , Riley O'Shea , Alireza Bab-Hadiashar

Despite multiple successful applications of high-throughput computational materials design from first principles, there is a number of factors that inhibit its future adoption. Of particular importance are limited ability to provide high…

Materials Science · Physics 2018-07-17 Protik Das , Mohammad Mohammadi , Timur Bazhirov

Many material properties are manifested in the morphological appearance and characterized with microscopic image, such as scanning electron microscopy (SEM). Polymer miscibility is a key physical quantity of polymer material and commonly…

Computer Vision and Pattern Recognition · Computer Science 2023-08-04 Zhilong Liang , Zhenzhi Tan , Ruixin Hong , Wanli Ouyang , Jinying Yuan , Changshui Zhang

Recent improvements in additive manufacturing and high-throughput material synthesis have enabled the discovery of novel metallic materials for extreme environments. However, high-fidelity testing of advanced mechanical properties such as…

Materials Science · Physics 2025-02-20 C. Bean , M. Calvat , Y. Nie , R. L Black , N. Velisavljevic , D. Anjaria , M. A. Charpagne , J. C. Stinville

The increasing importance of artificial intelligence and machine learning in materials research has created demand for automated, high-throughput characterization techniques capable of rapidly generating large data sets. We describe here a…

The development of novel instrumentation requires an iterative cycle with three stages: design, prototyping, and testing. Recent advancements in simulation and nanofabrication techniques have significantly accelerated the design and…

Instrumentation and Detectors · Physics 2026-01-21 J. Cuevas-Zepeda , C. Chavez , J. Estrada , J. Noonan , B. D. Nord , N. Saffold , M. Sofo-Haro , R. Spinola e Castro , S. Trivedi

Characterization of atomic-scale materials traditionally requires human experts with months to years of specialized training. Even for trained human operators, accurate and reliable characterization remains challenging when examining newly…

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

Combining high-throughput experiments with machine learning allows quick optimization of parameter spaces towards achieving target properties. In this study, we demonstrate that machine learning, combined with multi-labeled datasets, can…

Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…

Materials Science · Physics 2018-11-23 Corey Oses

Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A…

Assessing different material properties to predict specific attributes, such as band gap, resistivity, young modulus, work function, and refractive index, is a fundamental requirement for materials science-based applications. However, the…

Materials Science · Physics 2024-07-12 Anand Babu

Printed circuit boards (PCBs) are essential components of electronic devices, and ensuring their quality is crucial in their production. However, the vast variety of components and PCBs manufactured by different companies makes it…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Faranak Shamsafar , Sunil Jaiswal , Benjamin Kelkel , Kireeti Bodduna , Klaus Illgner-Fehns

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
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