James E. Saal
- Quantifying uncertainty in high-throughput density functional theory: a comparison of AFLOW, Materials Project, and OQMD
2020/07/04 by Vinay I. Hegde, Christopher K. H. Borg, Hegde, Vinay I. +17 · 3 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Interpretable models for extrapolation in scientific machine learning
2022/12/16 by Eric S. Muckley, James E. Saal, Muckley, Eric S. +7 · 4 citations
Computer Science · Materials Science · #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning and Data Classification #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- AutoMat: Accelerated Computational Electrochemical systems Discovery
2020/11/03 by Emil Annevelink, Annevelink, Emil, Rachel C. Kurchin +37 · 2 citations
Energy · Engineering · Materials Science · #Electrocatalysts for Energy Conversion #FOS: Computer and information sciences #FOS: Physical sciences #Fuel Cells and Related Materials #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Citrine Informatics: Chemical & Materials Development Platform
2026/07/27 by Maxwell C. Venetos, Steven J. Brown, Kenneth Kroenlein +6
Physics and Astronomy · #cond-mat.mtrl-sci