Recent series of theoretical and experimental reports have driven attention to time-reversal
symmetry-breaking spintronic and spin-splitting phenomena in materials with collinear …

Understanding the electron pairing in hole-doped cuprate superconductors has been a
challenge, in particular because the “normal” state from which it evolves is unprecedented …

The recently proposed rSCAN functional [J. Chem. Phys. 2019 150, 161101] is a regularized
form of the SCAN functional [Phys. Rev. Lett. 2015 115, 036402] that improves SCAN's …

In this review, we consider state-of-the-art density functional theory (DFT) investigations of
strongly correlated systems performed with the meta-generalized gradient approximation …

Superconducting nickelates appear to be difficult to synthesize. Since the chemical
reduction of ABO 3 [rare earth (A), transition metal (B)] with CaH 2 may result in both ABO 2 …

Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed
interest in understanding the nature of high-temperature superconductivity more generally …

The quantitative description of correlated electron materials remains a modern
computational challenge. We demonstrate a numerical strategy to simulate correlated …

Realistic description of competing phases in complex quantum materials has proven
extremely challenging. For example, much of the existing density-functional-theory-based …

The strongly constrained and appropriately normed (SCAN) meta-GGA exchange–
correlation functional [Sun et al., Phys. Rev. Lett. 115, 036402 (2015)] is constructed as a …

Quantum anomalous Hall (QAH) insulator is the key material to study emergent topological
quantum effects, but its ultralow working temperature limits experiments. Here, by first …