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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|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.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.Frontiers in Chemistry|November 26, 2020
Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic OrbitalsHonghui Shang, Jinlong YangThe Journal of Chemical Physics|April 8, 2023
The electron-phonon renormalization in the electronic structure calculation: Fundamentals, current status, and challengesHonghui Shang, Jinlong YangThe 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 YangThe Journal of Physical Chemistry. A|March 23, 2021
Capturing the Electron-Phonon Renormalization in Molecules from First-PrinciplesHonghui Shang, Jinlong YangThe Journal of Physical Chemistry. A|January 15, 2010
Implementation of exact exchange with numerical atomic orbitalsHonghui Shang, Zhenyu Li, Jinlong YangThe 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 YangPageof 4