Author

Sheng-Jun Yuan

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Review Oct 2026

Large-scale first-principles electronic structure methods.

First-principles electronic structure methods provide a quantum-mechanically grounded route to describing microscopic matter, but their application to structurally complex and large-scale systems is constrained by global operations whose cost usually scales cubically or worse. Linear-scaling electronic-structure method...

Wei-Qing Zhou, Zhi-Chang Fu, Sheng-Jun Yuan · Chemical Society Reviews · 0 citations

Preprint Sep 2026

Hierarchical Fourier Phase Projection for Local Electronic Observables

Large-scale electronic-structure calculations require efficient access to local observables without explicitly constructing all occupied orbitals. We develop hierarchical Fourier phase projection (HPP), which organizes Fourier probes into a reusable spatial hierarchy that progressively removes short-range aliasing whil...

Tao-Chen-Shuai Hu, Wei-Qing Zhou, Zhi-Chang Fu et al. · 0 citations