The role of machine learning in the understanding and design of materials

SM Moosavi, KM Jablonka, B Smit - Journal of the American …, 2020 - ACS Publications
Developing algorithmic approaches for the rational design and discovery of materials can
enable us to systematically find novel materials, which can have huge technological and …

Machine learning for the discovery, design, and engineering of materials

C Duan, A Nandy, HJ Kulik - Annual Review of Chemical and …, 2022 - annualreviews.org
Machine learning (ML) has become a part of the fabric of high-throughput screening and
computational discovery of materials. Despite its increasingly central role, challenges …

[HTML][HTML] Machine learning for materials design and discovery

R Vasudevan, G Pilania… - Journal of Applied Physics, 2021 - pubs.aip.org
We are excited to present this Special Topic collection on Machine Learning for Materials
Design and Discovery in the Journal of Applied Physics. With a wide range of exciting and …

Unleashing the power of artificial intelligence in materials design

S Badini, S Regondi, R Pugliese - Materials, 2023 - mdpi.com
The integration of artificial intelligence (AI) algorithms in materials design is revolutionizing
the field of materials engineering thanks to their power to predict material properties, design …

[HTML][HTML] Big data creates new opportunities for materials research: a review on methods and applications of machine learning for materials design

T Zhou, Z Song, K Sundmacher - Engineering, 2019 - Elsevier
Materials development has historically been driven by human needs and desires, and this is
likely to continue in the foreseeable future. The global population is expected to reach ten …

Data-driven strategies for accelerated materials design

R Pollice, G dos Passos Gomes… - Accounts of Chemical …, 2021 - ACS Publications
Conspectus The ongoing revolution of the natural sciences by the advent of machine
learning and artificial intelligence sparked significant interest in the material science …

Machine learning in experimental materials chemistry

B Selvaratnam, RT Koodali - Catalysis Today, 2021 - Elsevier
The development of advanced materials is an important aspect of modern life. However, the
discovery of novel materials involves searching the vast chemical space to find materials …

Into the unknown: how computation can help explore uncharted material space

AM Mroz, V Posligua, A Tarzia… - Journal of the …, 2022 - ACS Publications
Novel functional materials are urgently needed to help combat the major global challenges
facing humanity, such as climate change and resource scarcity. Yet, the traditional …

Machine learning in materials science: From explainable predictions to autonomous design

G Pilania - Computational Materials Science, 2021 - Elsevier
The advent of big data and algorithmic developments in the field of machine learning (and
artificial intelligence, in general) have greatly impacted the entire spectrum of physical …

Catalyze materials science with machine learning

J Kim, D Kang, S Kim, HW Jang - ACS Materials Letters, 2021 - ACS Publications
Discovering and understanding new materials with desired properties are at the heart of
materials science research, and machine learning (ML) has recently offered special …