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Active-learning for Global Optimization of Ni-Ceria Nanoparticles: the Case of Ce4-xNixO8-x (x=1, 2, 3)

Lizandra Barrios Herrera,Maicon Pierre Lourenco,Jiri Hostas,Patrizia Calaminici,Andreas M. Koester,Alain Tchagang,Dennis R. Salahub

Journal of Computational Chemistry（2024）

Cited 0|Views11
Key words
active learning,DFT,global optimization,machine learning,Ni-ceria nanoparticles
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