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Machine learning the Hubbard *U* parameter in DFT+*U* using Bayesian optimization

Engineering and Technology

Machine learning the Hubbard *U* parameter in DFT+*U* using Bayesian optimization

M. Yu, S. Yang, et al.

Explore a novel machine learning approach that employs Bayesian optimization to pinpoint optimal Hubbard *U* parameters in DFT+*U* calculations, achieving band structures on par with, or even superior to, traditional linear response methods. This exciting research was conducted by Maituo Yu, Shuyang Yang, Chunzhi Wu, and Noa Marom.... show more
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