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• W3213949181 abstract "Machine learning opens new avenues for modeling correlated materials. Quantum embedding approaches, such as dynamical mean-field theory (DMFT), provide corrections to first-principles calculations for strongly correlated materials, which are poorly described at lower levels of theory. Such embedding approaches are computationally demanding on classical computing architectures, and hence remain restricted to small systems, which limits the scope of applicability without exceptional computational resources. Here we outline a data-driven machine-learning process for solving the Anderson impurity model (AIM)---the central component of DMFT calculations. The key advance is the use of an ensemble error-correction approach to generate fast and accurate solutions of AIM. An example calculation of the Mott transition using DMFT in the single band Hubbard model is given as an example of the technique, and is validated against the most accurate available method. This approach is called data-driven dynamical mean-field theory (${mathbf{d}}^{3}mathbf{MFT}$)." @default.
• W3213949181 created "2021-11-22" @default.
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• W3213949181 date "2021-11-17" @default.
• W3213949181 modified "2023-10-17" @default.
• W3213949181 title "Data-driven dynamical mean-field theory: An error-correction approach to solve the quantum many-body problem using machine learning" @default.
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• W3213949181 doi "https://doi.org/10.1103/physrevb.104.205120" @default.
• W3213949181 hasPublicationYear "2021" @default.
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