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The Journal of Chemical Physics|April 8, 2023
The electron-phonon renormalization in the electronic structure calculation: Fundamentals, current status, and challengesHonghui Shang, Jinlong Yang
The Journal of Physical Chemistry. A|March 18, 2020
The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered OrbitalsHonghui Shang, Jinlong Yang
The Journal of Physical Chemistry. A|March 23, 2021
Capturing the Electron-Phonon Renormalization in Molecules from First-PrinciplesHonghui Shang, Jinlong Yang
Frontiers in Chemistry|November 26, 2020
Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic OrbitalsHonghui Shang, Jinlong Yang
The Journal of Physical Chemistry. A|January 15, 2010
Implementation of exact exchange with numerical atomic orbitalsHonghui Shang, Zhenyu Li, Jinlong Yang
The Journal of Chemical Physics|July 27, 2011
Implementation of screened hybrid density functional for periodic systems with numerical atomic orbitals: basis function fitting and integral screeningHonghui Shang, Zhenyu Li, Jinlong Yang
Frontiers in Chemistry|August 14, 2023
Efficient implementation of analytical gradients for periodic hybrid functional calculations within fitted numerical atomic orbitals from NAO2GTOXinming Qin, Honghui Shang, Jinlong Yang
Journal of Chemical Theory and Computation|July 8, 2024
Transformer-Based Neural-Network Quantum State Method for Electronic Band Structures of Real SolidsLizhong Fu, Yangjun Wu, Honghui Shang, et al.
Physical Chemistry Chemical Physics : PCCP|May 24, 2024
Quantum-centric high performance computing for quantum chemistryJie Liu, Huan Ma, Honghui Shang, et al.
Nature Communications|September 29, 2025
Solving the many-electron Schrödinger equation with a transformer-based frameworkHonghui Shang, Chu Guo, Yangjun Wu, et al.
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