most citedDeep-learning density functional perturbation theory

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cond-mat.mtrl-sci2024

Deep-Learning Database of Density Functional Theory Hamiltonians for Twisted Materials

Ting Bao, Runzhang Xu, He Li +5

Moiré-twisted materials have garnered significant research interest due to their distinctive properties and intriguing physics. However, conducting first-principles studies on such…