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 …

Computational chemistry for water-splitting electrocatalysis

L Miao, W Jia, X Cao, L Jiao - Chemical Society Reviews, 2024‏ - pubs.rsc.org
Electrocatalytic water splitting driven by renewable electricity has attracted great interest in
recent years for producing hydrogen with high-purity. However, the practical applications of …

Machine learning for perovskite solar cells and component materials: key technologies and prospects

Y Liu, X Tan, J Liang, H Han, P **ang… - Advanced Functional …, 2023‏ - Wiley Online Library
Data‐driven epoch, the development of machine learning (ML) in materials and device
design is an irreversible trend. Its ability and efficiency to handle nonlinear and game …

[HTML][HTML] Mechanistic models for additive manufacturing of metallic components

HL Wei, T Mukherjee, W Zhang, JS Zuback… - Progress in Materials …, 2021‏ - Elsevier
Additive manufacturing (AM), also known as 3D printing, is gaining wide acceptance in
diverse industries for the manufacturing of metallic components. The microstructure and …

Machine learning in materials science

J Wei, X Chu, XY Sun, K Xu, HX Deng, J Chen, Z Wei… - InfoMat, 2019‏ - Wiley Online Library
Traditional methods of discovering new materials, such as the empirical trial and error
method and the density functional theory (DFT)‐based method, are unable to keep pace …

Data‐driven materials science: status, challenges, and perspectives

L Himanen, A Geurts, AS Foster, P Rinke - Advanced Science, 2019‏ - Wiley Online Library
Data‐driven science is heralded as a new paradigm in materials science. In this field, data is
the new resource, and knowledge is extracted from materials datasets that are too big or …

Strategies for improving the sustainability of structural metals

D Raabe, CC Tasan, EA Olivetti - Nature, 2019‏ - nature.com
Metallic materials have enabled technological progress over thousands of years. The
accelerated demand for structural (that is, load-bearing) alloys in key sectors such as …

Data‐driven materials innovation and applications

Z Wang, Z Sun, H Yin, X Liu, J Wang, H Zhao… - Advanced …, 2022‏ - Wiley Online Library
Owing to the rapid developments to improve the accuracy and efficiency of both
experimental and computational investigative methodologies, the massive amounts of data …

[HTML][HTML] DAMASK–The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single …

F Roters, M Diehl, P Shanthraj, P Eisenlohr… - Computational Materials …, 2019‏ - Elsevier
Crystal Plasticity (CP) modeling is a powerful and well established computational materials
science tool to investigate mechanical structure–property relations in crystalline materials. It …

A strategy to apply machine learning to small datasets in materials science

Y Zhang, C Ling - Npj Computational Materials, 2018‏ - nature.com
There is growing interest in applying machine learning techniques in the research of
materials science. However, although it is recognized that materials datasets are typically …