Recent advances and applications of machine learning in solid-state materials science

J Schmidt, MRG Marques, S Botti… - npj computational …, 2019 - nature.com
One of the most exciting tools that have entered the material science toolbox in recent years
is machine learning. This collection of statistical methods has already proved to be capable …

Antiperovskite electrolytes for solid-state batteries

W **a, Y Zhao, F Zhao, K Adair, R Zhao, S Li… - Chemical …, 2022 - ACS Publications
Solid-state batteries have fascinated the research community over the past decade, largely
due to their improved safety properties and potential for high-energy density. Searching for …

New tolerance factor to predict the stability of perovskite oxides and halides

CJ Bartel, C Sutton, BR Goldsmith, R Ouyang… - Science …, 2019 - science.org
Predicting the stability of the perovskite structure remains a long-standing challenge for the
discovery of new functional materials for many applications including photovoltaics and …

From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Machine learning for perovskite materials design and discovery

Q Tao, P Xu, M Li, W Lu - Npj computational materials, 2021 - nature.com
The development of materials is one of the driving forces to accelerate modern scientific
progress and technological innovation. Machine learning (ML) technology is rapidly …

Machine learning assisted materials design and discovery for rechargeable batteries

Y Liu, B Guo, X Zou, Y Li, S Shi - Energy Storage Materials, 2020 - Elsevier
Abstract Machine learning plays an important role in accelerating the discovery and design
process for novel electrochemical energy storage materials. This review aims to provide the …

Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

S Lu, Q Zhou, Y Ouyang, Y Guo, Q Li, J Wang - Nature communications, 2018 - nature.com
Rapidly discovering functional materials remains an open challenge because the traditional
trial-and-error methods are usually inefficient especially when thousands of candidates are …

Harnessing the power of machine learning for carbon capture, utilisation, and storage (CCUS)–a state-of-the-art review

Y Yan, TN Borhani, SG Subraveti, KN Pai… - Energy & …, 2021 - pubs.rsc.org
Carbon capture, utilisation and storage (CCUS) will play a critical role in future
decarbonisation efforts to meet the Paris Agreement targets and mitigate the worst effects of …

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 …

Big-data science in porous materials: materials genomics and machine learning

KM Jablonka, D Ongari, SM Moosavi, B Smit - Chemical reviews, 2020 - ACS Publications
By combining metal nodes with organic linkers we can potentially synthesize millions of
possible metal–organic frameworks (MOFs). The fact that we have so many materials opens …