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Autonomous (AI-driven) Materials Science

This Special Topic includes a collection of articles focused on the applications of artificial intelligence (AI) and machine learning (ML) to materials science. This field has the potential to greatly accelerate the discovery of novel materials and their processing parameters. The articles will cover this new field, and also discuss the use of materials data to generate predictive models to efficiently explore materials space.

Guest Editors: Martin L Green, Joshua Schrier and Benji Maruyama

Special Collection Image
Martin L. Green; Benji Maruyama; Joshua Schrier
10.1063/5.0118872
Austin McDannald; Matthias Frontzek; Andrei T. Savici; Mathieu Doucet; Efrain E. Rodriguez; Kate Meuse; Jessica Opsahl-Ong; Daniel Samarov; Ichiro Takeuchi; William Ratcliff; A. Gilad Kusne
10.1063/5.0082956
Chloé Saigre-Tardif; Rashid Faqiri; Hanting Zhao; Lianlin Li; Philipp del Hougne
10.1063/5.0076022
Joseph H. Montoya; Muratahan Aykol; Abraham Anapolsky; Chirranjeevi B. Gopal; Patrick K. Herring; Jens S. Hummelshøj; Linda Hung; Ha-Kyung Kwon; Daniel Schweigert; Shijing Sun; Santosh K. Suram; Steven B. Torrisi; Amalie Trewartha; Brian D. Storey
10.1063/5.0076324
Suchismita Sarker; Robert Tang-Kong; Rachel Schoeppner; Logan Ward; Naila Al Hasan; Douglas G. Van Campen; Ichiro Takeuchi; Jason Hattrick-Simpers; Andriy Zakutayev; Corinne E. Packard; Apurva Mehta
10.1063/5.0068207
Robert W. Epps; Milad Abolhasani
10.1063/5.0061799
Phillip M. Maffettone; Aidan C. Daly; Daniel Olds
10.1063/5.0052859
Gabriel R. Schleder; Bruno Focassio; Adalberto Fazzio
10.1063/5.0055035
Florian Häse; Matteo Aldeghi; Riley J. Hickman; Loïc M. Roch; Alán Aspuru-Guzik
10.1063/5.0048164
Lihua Chen; Joseph Kern; Jordan P. Lightstone; Rampi Ramprasad
10.1063/5.0052962
Georgios A. Tritsaris; Stephen Carr; Gabriel R. Schleder
10.1063/5.0044511
Shufeng Kong; Dan Guevarra; Carla P. Gomes; John M. Gregoire
10.1063/5.0047066
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