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The 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 Beyond
Hao-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 Clusters
Muhammad 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 Chemistry
Bowen Kan, Yingqi Tian, Yangjun Wu, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 24, 2024
Quantum-centric high performance computing for quantum chemistry
Jie Liu, Huan Ma, Honghui Shang, et al.
Nature Communications
|
September 29, 2025
Solving the many-electron Schrödinger equation with a transformer-based framework
Honghui Shang, Chu Guo, Yangjun Wu, et al.
Journal of Chemical Theory and Computation
|
October 1, 2025
NNQS-AFQMC: Neural Network Quantum States Enhanced Fermionic Quantum Monte Carlo
Zhi-Yu Xiao, Bowen Kan, Huan Ma, et al.
Chemical Science
|
March 27, 2023
Multiscale quantum algorithms for quantum chemistry
Huan Ma, Jie Liu, Honghui Shang, et al.
Journal of Chemical Theory and Computation
|
August 12, 2022
Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks
Muhammad N Tahir, Tong Zhu, 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 Architecture
Juntao Lai, Bowen Kan, Yangjun Wu, et al.
NPJ Quantum Information
|
April 12, 2023
Towards practical and massively parallel quantum computing emulation for quantum chemistry
Honghui Shang, Yi Fan, Li Shen, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
The 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 Beyond
Hao-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 Clusters
Muhammad 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 Chemistry
Bowen Kan, Yingqi Tian, Yangjun Wu, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 24, 2024
Quantum-centric high performance computing for quantum chemistry
Jie Liu, Huan Ma, Honghui Shang, et al.
Nature Communications
|
September 29, 2025
Solving the many-electron Schrödinger equation with a transformer-based framework
Honghui Shang, Chu Guo, Yangjun Wu, et al.
Journal of Chemical Theory and Computation
|
October 1, 2025
NNQS-AFQMC: Neural Network Quantum States Enhanced Fermionic Quantum Monte Carlo
Zhi-Yu Xiao, Bowen Kan, Huan Ma, et al.
Chemical Science
|
March 27, 2023
Multiscale quantum algorithms for quantum chemistry
Huan Ma, Jie Liu, Honghui Shang, et al.
Journal of Chemical Theory and Computation
|
August 12, 2022
Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks
Muhammad N Tahir, Tong Zhu, 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 Architecture
Juntao Lai, Bowen Kan, Yangjun Wu, et al.
NPJ Quantum Information
|
April 12, 2023
Towards practical and massively parallel quantum computing emulation for quantum chemistry
Honghui Shang, Yi Fan, Li Shen, et al.
Page
of 4