549 citations · 2.2k across the 23 of their papers we have counts for
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The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design
Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid +25
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional the…
On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning
A. Gilad Kusne, Heshan Yu, Changming Wu +13
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 gu…
CRYSPNet: Crystal Structure Predictions via Neural Network
Haotong Liang, Valentin Stanev, A. Gilad Kusne +1
Structure is the most basic and important property of crystalline solids; it determines directly or indirectly most materials characteristics. However, predicting crystal structure…
Scientific AI in materials science: a path to a sustainable and scalable paradigm
Brian DeCost, Jason Hattrick-Simpers, Zachary Trautt +3
Recently there has been an ever-increasing trend in the use of machine learning (ML) and artificial intelligence (AI) methods by the materials science, condensed matter physics, an…