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 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 …

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 …

Physics-inspired structural representations for molecules and materials

F Musil, A Grisafi, AP Bartók, C Ortner… - Chemical …, 2021 - ACS Publications
The first step in the construction of a regression model or a data-driven analysis, aiming to
predict or elucidate the relationship between the atomic-scale structure of matter and its …

Nanoparticle synthesis assisted by machine learning

H Tao, T Wu, M Aldeghi, TC Wu… - Nature reviews …, 2021 - nature.com
Many properties of nanoparticles are governed by their shape, size, polydispersity and
surface chemistry. To apply nanoparticles in chemical sensing, medical diagnostics …

Artificial intelligence applied to battery research: hype or reality?

T Lombardo, M Duquesnoy, H El-Bouysidy… - Chemical …, 2021 - ACS Publications
This is a critical review of artificial intelligence/machine learning (AI/ML) methods applied to
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …

Rechargeable batteries of the future—the state of the art from a BATTERY 2030+ perspective

M Fichtner, K Edström, E Ayerbe… - Advanced Energy …, 2022 - Wiley Online Library
The development of new batteries has historically been achieved through discovery and
development cycles based on the intuition of the researcher, followed by experimental trial …

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 …

[HTML][HTML] Generative artificial intelligence and its applications in materials science: Current situation and future perspectives

Y Liu, Z Yang, Z Yu, Z Liu, D Liu, H Lin, M Li, S Ma… - Journal of …, 2023 - Elsevier
Abstract Generative Artificial Intelligence (GAI) is attracting the increasing attention of
materials community for its excellent capability of generating required contents. With the …

Mattergen: a generative model for inorganic materials design

C Zeni, R Pinsler, D Zügner, A Fowler, M Horton… - arxiv preprint arxiv …, 2023 - arxiv.org
The design of functional materials with desired properties is essential in driving
technological advances in areas like energy storage, catalysis, and carbon capture …