Machine learning for materials scientists: an introductory guide toward best practices

AYT Wang, RJ Murdock, SK Kauwe… - Chemistry of …, 2020 - ACS Publications
This Methods/Protocols article is intended for materials scientists interested in performing
machine learning-centered research. We cover broad guidelines and best practices …

Predicting crystallization tendency of polymers using multifidelity information fusion and machine learning

S Venkatram, R Batra, L Chen, C Kim… - The Journal of …, 2020 - ACS Publications
The degree of crystallinity of a polymer is a critical parameter that controls a variety of
polymer properties. A high degree of crystallinity is associated with excellent mechanical …

[HTML][HTML] Machine learning in materials chemistry: An invitation

D Packwood, LTH Nguyen, P Cesana, G Zhang… - Machine Learning with …, 2022 - Elsevier
Materials chemistry is being profoundly influenced by the uptake of machine learning
methodologies. Machine learning techniques, in combination with established techniques …

Evolving the materials genome: How machine learning is fueling the next generation of materials discovery

C Suh, C Fare, JA Warren… - Annual Review of …, 2020 - annualreviews.org
Machine learning, applied to chemical and materials data, is transforming the field of
materials discovery and design, yet significant work is still required to fully take advantage of …

Recent advances and challenges in experiment-oriented polymer informatics

K Hatakeyama-Sato - Polymer Journal, 2023 - nature.com
This review summarizes recent advances in experimental polymer chemistry supported by
data science. The area of polymer informatics is rapidly growing based on cheminformatics …

MatGPT: A vane of materials informatics from past, present, to future

Z Wang, A Chen, K Tao, Y Han, J Li - Advanced Materials, 2024 - Wiley Online Library
Combining materials science, artificial intelligence (AI), physical chemistry, and other
disciplines, materials informatics is continuously accelerating the vigorous development of …

A user's guide to machine learning for polymeric biomaterials

TA Meyer, C Ramirez, MJ Tamasi, AJ Gormley - ACS Polymers Au, 2022 - ACS Publications
The development of novel biomaterials is a challenging process, complicated by a design
space with high dimensionality. Requirements for performance in the complex biological …

Image-based machine learning for materials science

L Zhang, S Shao - Journal of Applied Physics, 2022 - pubs.aip.org
Materials research studies are dealing with a large number of images, which can now be
facilitated via image-based machine learning techniques. In this article, we review recent …

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 …

Artificial intelligence to power the future of materials science and engineering

W Sha, Y Guo, Q Yuan, S Tang, X Zhang… - Advanced Intelligent …, 2020 - Wiley Online Library
Artificial intelligence (AI) has received widespread attention over the last few decades due to
its potential to increase automation and accelerate productivity. In recent years, a large …