Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Challenges to develo** materials for the transport and storage of hydrogen

MD Allendorf, V Stavila, JL Snider, M Witman… - Nature Chemistry, 2022 - nature.com
Hydrogen has the highest gravimetric energy density of any energy carrier and produces
water as the only oxidation product, making it extremely attractive for both transportation and …

Scaling deep learning for materials discovery

A Merchant, S Batzner, SS Schoenholz, M Aykol… - Nature, 2023 - nature.com
Novel functional materials enable fundamental breakthroughs across technological
applications from clean energy to information processing,,,,,,,,,–. From microchips to batteries …

Machine learning for alloys

GLW Hart, T Mueller, C Toher, S Curtarolo - Nature Reviews Materials, 2021 - nature.com
Alloy modelling has a history of machine-learning-like approaches, preceding the tide of
data-science-inspired work. The dawn of computational databases has made the integration …

Screening strategy for develo** thermoelectric interface materials

L **e, L Yin, Y Yu, G Peng, S Song, P Ying, S Cai… - Science, 2023 - science.org
Thermoelectric interface materials (TEiMs) are essential to the development of
thermoelectric generators. Common TEiMs use pure metals or binary alloys but have …

Machine learning for high-entropy alloys: Progress, challenges and opportunities

X Liu, J Zhang, Z Pei - Progress in Materials Science, 2023 - Elsevier
High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional
mechanical properties and the vast compositional space for new HEAs. However …

Combining machine learning and computational chemistry for predictive insights into chemical systems

JA Keith, V Vassilev-Galindo, B Cheng… - Chemical …, 2021 - ACS Publications
Machine learning models are poised to make a transformative impact on chemical sciences
by dramatically accelerating computational algorithms and amplifying insights available from …

Design of functional and sustainable polymers assisted by artificial intelligence

H Tran, R Gurnani, C Kim, G Pilania, HK Kwon… - Nature Reviews …, 2024 - nature.com
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …

Machine learning: an advanced platform for materials development and state prediction in lithium‐ion batteries

C Lv, X Zhou, L Zhong, C Yan, M Srinivasan… - Advanced …, 2022 - Wiley Online Library
Lithium‐ion batteries (LIBs) are vital energy‐storage devices in modern society. However,
the performance and cost are still not satisfactory in terms of energy density, power density …

Heusler alloys: Past, properties, new alloys, and prospects

S Tavares, K Yang, MA Meyers - Progress in Materials Science, 2023 - Elsevier
Heusler alloys, discovered serendipitously at the beginning of the twentieth century, have
emerged in the twenty-first century as exciting materials for numerous remarkable functional …