Recent advances and applications of deep learning methods in materials science

K Choudhary, B DeCost, C Chen, A Jain… - npj Computational …, 2022 - nature.com
Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …

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 …

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 …

Explainable machine learning in materials science

X Zhong, B Gallagher, S Liu, B Kailkhura… - npj computational …, 2022 - nature.com
Abstract Machine learning models are increasingly used in materials studies because of
their exceptional accuracy. However, the most accurate machine learning models are …

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 …

Emerging materials intelligence ecosystems propelled by machine learning

R Batra, L Song, R Ramprasad - Nature Reviews Materials, 2021 - nature.com
The age of cognitive computing and artificial intelligence (AI) is just dawning. Inspired by its
successes and promises, several AI ecosystems are blossoming, many of them within the …

A state-of-the-art review on machine learning-based multiscale modeling, simulation, homogenization and design of materials

D Bishara, Y Xie, WK Liu, S Li - Archives of computational methods in …, 2023 - Springer
Multiscale simulation and homogenization of materials have become the major
computational technology as well as engineering tools in material modeling and material …

[HTML][HTML] Application of upscaling methods for fluid flow and mass transport in multi-scale heterogeneous media: A critical review

X Zhang, F Ma, S Yin, CD Wallace, MR Soltanian, Z Dai… - Applied energy, 2021 - Elsevier
Physical and biogeochemical heterogeneity dramatically impacts fluid flow and reactive
solute transport behaviors in geological formations across scales. From micro pores to …

[HTML][HTML] Using deep neural network with small dataset to predict material defects

S Feng, H Zhou, H Dong - Materials & Design, 2019 - Elsevier
Deep neural network (DNN) exhibits state-of-the-art performance in many fields including
microstructure recognition where big dataset is used in training. However, DNN trained by …

Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data

V Gupta, K Choudhary, F Tavazza, C Campbell… - Nature …, 2021 - nature.com
Artificial intelligence (AI) and machine learning (ML) have been increasingly used in
materials science to build predictive models and accelerate discovery. For selected …