no code implementations • 10 Nov 2023 • A. Gilad Kusne, Austin McDannald, Brian DeCost
Autonomous materials research labs require the ability to combine and learn from diverse data streams.
no code implementations • 19 Oct 2023 • Francesca Tavazza, Kamal Choudhary, Brian DeCost
The development of large databases of material properties, together with the availability of powerful computers, has allowed machine learning (ML) modeling to become a widely used tool for predicting material performances.
no code implementations • 15 Nov 2021 • A. Gilad Kusne, Austin McDannald, Brian DeCost, Corey Oses, Cormac Toher, Stefano Curtarolo, Apurva Mehta, Ichiro Takeuchi
Application of artificial intelligence (AI), and more specifically machine learning, to the physical sciences has expanded significantly over the past decades.
2 code implementations • 3 Jul 2020 • Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid, Brian DeCost, Adam J. Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne, Andrea Centrone, Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei V. Kalinin, Bobby G. Sumpter, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, Kristjan Haule, David Vanderbilt, Karin Rabe, Francesca Tavazza
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques.
Materials Science Computational Physics
no code implementations • 11 Jun 2020 • A. Gilad Kusne, Heshan Yu, Changming Wu, Huairuo Zhang, Jason Hattrick-Simpers, Brian DeCost, Suchismita Sarker, Corey Oses, Cormac Toher, Stefano Curtarolo, Albert V. Davydov, Ritesh Agarwal, Leonid A. Bendersky, Mo Li, Apurva Mehta, Ichiro Takeuchi
Active learning - the field of machine learning (ML) dedicated to optimal experiment design, has played a part in science as far back as the 18th century when Laplace used it to guide his discovery of celestial mechanics [1].
1 code implementation • 18 May 2018 • Kamal Choudhary, Brian DeCost, Francesca Tavazza
We present a complete set of chemo-structural descriptors to significantly extend the applicability of machine-learning (ML) in material screening and mapping energy landscape for multicomponent systems.
Materials Science
no code implementations • 1 Nov 2017 • Julia Ling, Maxwell Hutchinson, Erin Antono, Brian DeCost, Elizabeth A. Holm, Bryce Meredig
As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure.