Machine learning for a sustainable energy future

Z Yao, Y Lum, A Johnston, LM Mejia-Mendoza… - Nature Reviews …, 2023 - nature.com
Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it
demands advances—at the materials, devices and systems levels—for the efficient …

Recent progress and future prospects on all-organic polymer dielectrics for energy storage capacitors

QK Feng, SL Zhong, JY Pei, Y Zhao, DL Zhang… - Chemical …, 2021 - ACS Publications
With the development of advanced electronic devices and electric power systems, polymer-
based dielectric film capacitors with high energy storage capability have become particularly …

QSAR without borders

EN Muratov, J Bajorath, RP Sheridan… - Chemical Society …, 2020 - pubs.rsc.org
Prediction of chemical bioactivity and physical properties has been one of the most
important applications of statistical and more recently, machine learning and artificial …

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 …

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 …

Concepts of artificial intelligence for computer-assisted drug discovery

X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019 - ACS Publications
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

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 …

A critical review of machine learning of energy materials

C Chen, Y Zuo, W Ye, X Li, Z Deng… - Advanced Energy …, 2020 - Wiley Online Library
Abstract Machine learning (ML) is rapidly revolutionizing many fields and is starting to
change landscapes for physics and chemistry. With its ability to solve complex tasks …

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 …