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Chemical Science|March 27, 2023
Multiscale quantum algorithms for quantum chemistryHuan Ma, Jie Liu, Honghui Shang, et al.Journal of Chemical Theory and Computation|October 23, 2024
Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer ArchitectureJuntao Lai, Bowen Kan, Yangjun Wu, et al.Journal of Chemical Theory and Computation|November 24, 2025
Accelerating Many-Body Quantum Chemistry via Generative Transformer-Enhanced Configuration InteractionBowen Kan, Honghui ShangJournal of Chemical Theory and Computation|October 27, 2025
Analytical Gradients of Random-Phase Approximation Plus Corrections from Renormalized Single ExcitationsMuhammad N Tahir, Honghui Shang, Xinguo RenThe Journal of Physical Chemistry Letters|April 17, 2026
First-Principles Approach to Electron-Vibration Interaction in Molecules from an Atomic Orbital Basis: The Allen-Heine-Cardona Theory and BeyondHao-Yu Qi, Honghui Shang, Xinguo Ren, et al.The Journal of Physical Chemistry. A|September 6, 2024
Efficient Structural Relaxation Based on the Random Phase Approximation: Applications to Water ClustersMuhammad N Tahir, Honghui Shang, Jia Li, et al.Journal of Chemical Theory and Computation|April 8, 2025
Bridging the Gap between Transformer-Based Neural Networks and Tensor Networks for Quantum ChemistryBowen Kan, Yingqi Tian, Yangjun Wu, et al.Journal of Chemical Theory and Computation|October 1, 2025
NNQS-AFQMC: Neural Network Quantum States Enhanced Fermionic Quantum Monte CarloZhi-Yu Xiao, Bowen Kan, Huan Ma, et al.The Journal of Chemical Physics|October 2, 2007
Modified Morse potential for unification of the pair interactionsLongjiu Cheng, Jinlong YangThe Journal of Physical Chemistry. A|May 25, 2007
Global minimum structures of morse clusters as a function of the range of the potential: 81<or=N<or=160Longjiu Cheng, Jinlong YangPageof 73