Machine learning for electrocatalyst and photocatalyst design and discovery

H Mai, TC Le, D Chen, DA Winkler… - Chemical …, 2022 - ACS Publications
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

Issues and Opportunities Facing Aqueous Mn2+/MnO2‐based Batteries

Z Liu, L Qin, B Lu, X Wu, S Liang, J Zhou - ChemSusChem, 2022 - Wiley Online Library
Abstract Aqueous Mn2+/MnO2‐based batteries have attracted enormous attentions in
aqueous energy storage fields, owing to their high working voltage and theoretical capacity …

Data quantity governance for machine learning in materials science

Y Liu, Z Yang, X Zou, S Ma, D Liu… - National Science …, 2023 - academic.oup.com
Data-driven machine learning (ML) is widely employed in the analysis of materials structure–
activity relationships, performance optimization and materials design due to its superior …

MatGPT: A vane of materials informatics from past, present, to future

Z Wang, A Chen, K Tao, Y Han, J Li - Advanced Materials, 2024 - Wiley Online Library
Combining materials science, artificial intelligence (AI), physical chemistry, and other
disciplines, materials informatics is continuously accelerating the vigorous development of …

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YD Wang, NGGEF Paddy, FAABR Straw… - … and microstructure and …, 2006 - acs.confex.com
ASA, CSSA and SSSA International Annual Meetings: Author Index W [ International Annual
Meetings - Home Page ] Start Browse by Section/Division of Interest Author Index Author Index …

Artificial intelligence-driven rechargeable batteries in multiple fields of development and application towards energy storage

L Zheng, S Zhang, H Huang, R Liu, M Cai, Y Bian… - Journal of Energy …, 2023 - Elsevier
Rechargeable batteries are vital in the domain of energy storage. However, traditional
experimental or computational simulation methods for rechargeable batteries still pose time …

AlphaMat: a material informatics hub connecting data, features, models and applications

Z Wang, A Chen, K Tao, J Cai, Y Han, J Gao… - npj Computational …, 2023 - nature.com
The development of modern civil industry, energy and information technology is inseparable
from the rapid explorations of new materials. However, only a small fraction of materials …

Machine learning-assisted materials development and device management in batteries and supercapacitors: performance comparison and challenges

S Jha, M Yen, YS Salinas, E Palmer… - Journal of Materials …, 2023 - pubs.rsc.org
Machine learning (ML) has been the focus in recent studies aiming to improve battery and
supercapacitor technology. Its application in materials research has demonstrated promising …

Towards overcoming data scarcity in materials science: unifying models and datasets with a mixture of experts framework

R Chang, YX Wang, E Ertekin - npj Computational Materials, 2022 - nature.com
While machine learning has emerged in recent years as a useful tool for the rapid prediction
of materials properties, generating sufficient data to reliably train models without overfitting is …

[HTML][HTML] An evolutionary-driven AI model discovering redox-stable organic electrode materials for alkali-ion batteries

RP Carvalho, D Brandell, CM Araujo - Energy Storage Materials, 2023 - Elsevier
Data-driven approaches have been revolutionizing materials science and materials
discovery in the past years. Especially when coupled with other computational physics …