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cond-mat.mtrl-sci2023★ 2 cited
Targeted materials discovery using Bayesian algorithm execution
Sathya Chitturi, Akash Ramdas, Yue Wu +8
Rapid discovery and synthesis of new materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which…
cond-mat.mtrl-sci2019
Methods for comparing uncertainty quantifications for material property predictions
Kevin Tran, Willie Neiswanger, Junwoong Yoon +3
Data science and informatics tools have been proliferating recently within the computational materials science and catalysis fields. This proliferation has spurned the creation of…