High-entropy nanoparticles: Synthesis-structure-property relationships and data-driven discovery

Y Yao, Q Dong, A Brozena, J Luo, J Miao, M Chi… - Science, 2022 - science.org
High-entropy nanoparticles have become a rapidly growing area of research in recent years.
Because of their multielemental compositions and unique high-entropy mixing states (ie …

Artificial intelligence: A powerful paradigm for scientific research

Y Xu, X Liu, X Cao, C Huang, E Liu, S Qian, X Liu… - The Innovation, 2021 - cell.com
Artificial intelligence (AI) coupled with promising machine learning (ML) techniques well
known from computer science is broadly affecting many aspects of various fields including …

Machine learning–enabled high-entropy alloy discovery

Z Rao, PY Tung, R **e, Y Wei, H Zhang, A Ferrari… - Science, 2022 - science.org
High-entropy alloys are solid solutions of multiple principal elements that are capable of
reaching composition and property regimes inaccessible for dilute materials. Discovering …

Artificial intelligence and machine learning in design of mechanical materials

K Guo, Z Yang, CH Yu, MJ Buehler - Materials Horizons, 2021 - pubs.rsc.org
Artificial intelligence, especially machine learning (ML) and deep learning (DL) algorithms,
is becoming an important tool in the fields of materials and mechanical engineering …

Computational discovery of transition-metal complexes: from high-throughput screening to machine learning

A Nandy, C Duan, MG Taylor, F Liu, AH Steeves… - Chemical …, 2021 - ACS Publications
Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …

A critical review of machine learning of energy materials

C Chen, Y Zuo, W Ye, X Li, Z Deng… - Advanced Energy …, 2020 - Wiley Online Library
Abstract Machine learning (ML) is rapidly revolutionizing many fields and is starting to
change landscapes for physics and chemistry. With its ability to solve complex tasks …

Machine learning assisted design of high entropy alloys with desired property

C Wen, Y Zhang, C Wang, D Xue, Y Bai, S Antonov… - Acta Materialia, 2019 - Elsevier
We formulate a materials design strategy combining a machine learning (ML) surrogate
model with experimental design algorithms to search for high entropy alloys (HEAs) with …

Machine learning assisted materials design and discovery for rechargeable batteries

Y Liu, B Guo, X Zou, Y Li, S Shi - Energy Storage Materials, 2020 - Elsevier
Abstract Machine learning plays an important role in accelerating the discovery and design
process for novel electrochemical energy storage materials. This review aims to provide the …

A machine learning-based alloy design system to facilitate the rational design of high entropy alloys with enhanced hardness

C Yang, C Ren, Y Jia, G Wang, M Li, W Lu - Acta Materialia, 2022 - Elsevier
Trapped by time-consuming traditional trial-and-error methods and vast untapped
composition space, efficiently discovering novel high entropy alloys (HEAs) with exceptional …

Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

S Lu, Q Zhou, Y Ouyang, Y Guo, Q Li, J Wang - Nature communications, 2018 - nature.com
Rapidly discovering functional materials remains an open challenge because the traditional
trial-and-error methods are usually inefficient especially when thousands of candidates are …