Author

Hongcai Liu

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Open access Oct 2026

Machine-Learning-Integral-Based Density Functional Theory: mi-DFT

Kohn–Sham density functional theory (KS-DFT) has achieved widespread success owing to its favorable balance between computational accuracy and efficiency. However, its application to molecular aggregates remains challenging because the steep increase in the number of atoms leads to an explosive growth in two-electron i...

Yi-Zhou Cao, Hong-Cai Liu, Zhong-Jun Zhou et al. · Communications in Computatio... · 0 citations

Aug 2026

Ion-Driven Cyclic Hotspot Modulation for Tunable SERS Detection of Alpha-Fetoprotein.

This work proposes a metal-ion-mediated cyclic amplification strategy, inspired by coordination chemistry, that exhibits excellent anti-interference capability in human serum, offering a versatile blueprint for ultratrace biomarker detection.

Mei-Qi Bao, Ling Zhang, Hongcai Liu et al. · Analytical Chemistry · 0 citations

Aug 2026

Enzyme-free dual-hotspot SERS immunosensor via cascaded boronate assembly.

A novel, enzyme-free surface-enhanced Raman scattering (SERS) platform based on a "dual-hotspot amplification" strategy that enhances detection sensitivity but also provides a useful design concept for the ultrasensitive analysis of carbohydrate-derived biomarkers.

Mei-Qi Bao, Xiao-Yan Ma, Hong-Cai Liu et al. · Biosensors & bioelectronics · 0 citations