electronic material
Adaptive AI decision interface for autonomous electronic material discovery
Dai, Yahao, Chan, Henry, Vriza, Aikaterini, Kim, Fredrick, Wang, Yunfei, Liu, Wei, Shan, Naisong, Xu, Jing, Weires, Max, Wu, Yukun, Cao, Zhiqiang, Miller, C. Suzanne, Divan, Ralu, Gu, Xiaodan, Zhu, Chenhui, Wang, Sihong, Xu, Jie
AI-powered autonomous experimentation (AI/AE) can accelerate materials discovery but its effectiveness for electronic materials is hindered by data scarcity from lengthy and complex design-fabricate-test-analyze cycles. Unlike experienced human scientists, even advanced AI algorithms in AI/AE lack the adaptability to make informative real-time decisions with limited datasets. Here, we address this challenge by developing and implementing an AI decision interface on our AI/AE system. The central element of the interface is an AI advisor that performs real-time progress monitoring, data analysis, and interactive human-AI collaboration for actively adapting to experiments in different stages and types. We applied this platform to an emerging type of electronic materials-mixed ion-electron conducting polymers (MIECPs) -- to engineer and study the relationships between multiscale morphology and properties. Using organic electrochemical transistors (OECT) as the testing-bed device for evaluating the mixed-conducting figure-of-merit -- the product of charge-carrier mobility and the volumetric capacitance (μC*), our adaptive AI/AE platform achieved a 150% increase in μC* compared to the commonly used spin-coating method, reaching 1,275 F cm-1 V-1 s-1 in just 64 autonomous experimental trials. A study of 10 statistically selected samples identifies two key structural factors for achieving higher volumetric capacitance: larger crystalline lamellar spacing and higher specific surface area, while also uncovering a new polymer polymorph in this material.
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New computer vision method helps speed up screening of electronic materials
MIT graduate students Eunice Aissi, left, and Alexander Siemenn, have developed a technique that automatically analyzes visual features in printed samples (pictured) to quickly determine key properties of new and promising semiconducting materials. Boosting the performance of solar cells, transistors, LEDs, and batteries will require better electronic materials, made from novel compositions that have yet to be discovered. To speed up the search for advanced functional materials, scientists are using AI tools to identify promising materials from hundreds of millions of chemical formulations. In tandem, engineers are building machines that can print hundreds of material samples at a time based on chemical compositions tagged by AI search algorithms. But to date, there's been no similarly speedy way to confirm that these printed materials actually perform as expected.
Noisy Quantum Computers Could Be Good for Chemistry Problems
Scientists and researchers have long extolled the extraordinary potential capabilities of universal quantum computers, like simulating physical and natural processes or breaking cryptographic codes in practical time frames. Yet important developments in the technology--the ability to fabricate the necessary number of high-quality qubits (the basic units of quantum information) and gates (elementary operations between qubits)--is most likely still decades away. However, there is a class of quantum devices--ones that currently exist--that could address otherwise intractable problems much sooner than that. These near-term quantum devices, coined Noisy Intermediate-Scale Quantum (NISQ) by Caltech professor John Preskill, are single-purpose, highly imperfect, and modestly sized. Dr. Anton Toutov is the cofounder and chief science officer of Fuzionaire and holds a PhD in organic chemistry from Caltech.
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