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 …

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 …

Machine learning in materials informatics: recent applications and prospects

R Ramprasad, R Batra, G Pilania… - npj Computational …, 2017 - nature.com
Propelled partly by the Materials Genome Initiative, and partly by the algorithmic
developments and the resounding successes of data-driven efforts in other domains …

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 …

Rapid inverse design of metamaterials based on prescribed mechanical behavior through machine learning

CS Ha, D Yao, Z Xu, C Liu, H Liu, D Elkins… - Nature …, 2023 - nature.com
Designing and printing metamaterials with customizable architectures enables the
realization of unprecedented mechanical behaviors that transcend those of their constituent …

Machine learning for electronically excited states of molecules

J Westermayr, P Marquetand - Chemical Reviews, 2020 - ACS Publications
Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Autonomous experimentation systems for materials development: A community perspective

E Stach, B DeCost, AG Kusne, J Hattrick-Simpers… - Matter, 2021 - cell.com
Solutions to many of the world's problems depend upon materials research and
development. However, advanced materials can take decades to discover and decades …

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 …

Design of functional and sustainable polymers assisted by artificial intelligence

H Tran, R Gurnani, C Kim, G Pilania, HK Kwon… - Nature Reviews …, 2024 - nature.com
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …

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 …