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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
May 27, 2021
Calculation of Berry curvature using non-orthogonal atomic orbitals
Gan Jin, Daye Zheng, Lixin He
The Journal of Chemical Physics
|
August 17, 2017
First-principles molecular dynamics study of deuterium diffusion in liquid tin
Xiaohui Liu, Daye Zheng, Xinguo Ren, et al.
The Journal of Physical Chemistry Letters
|
March 18, 2026
Comprehensive Structural Descriptors Enable Machine Learning Prediction of Perovskite Band Characteristics
Zixuan Ni, Zhirui Zhang, Yiming Chen, et al.
The Journal of Chemical Physics
|
August 21, 2023
Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals
Renxi Liu, Daye Zheng, Xinyuan Liang, et al.
The Journal of Physical Chemistry. A
|
December 1, 2022
DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials
Wenfei Li, Qi Ou, Yixiao Chen, et al.
The Journal of Chemical Physics
|
November 20, 2025
ABACUS: An electronic structure analysis package for the AI era
Weiqing Zhou, Daye Zheng, Qianrui Liu, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
May 27, 2021
Calculation of Berry curvature using non-orthogonal atomic orbitals
Gan Jin, Daye Zheng, Lixin He
The Journal of Chemical Physics
|
August 17, 2017
First-principles molecular dynamics study of deuterium diffusion in liquid tin
Xiaohui Liu, Daye Zheng, Xinguo Ren, et al.
The Journal of Physical Chemistry Letters
|
March 18, 2026
Comprehensive Structural Descriptors Enable Machine Learning Prediction of Perovskite Band Characteristics
Zixuan Ni, Zhirui Zhang, Yiming Chen, et al.
The Journal of Chemical Physics
|
August 21, 2023
Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals
Renxi Liu, Daye Zheng, Xinyuan Liang, et al.
The Journal of Physical Chemistry. A
|
December 1, 2022
DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials
Wenfei Li, Qi Ou, Yixiao Chen, et al.
The Journal of Chemical Physics
|
November 20, 2025
ABACUS: An electronic structure analysis package for the AI era
Weiqing Zhou, Daye Zheng, Qianrui Liu, et al.
Page
of 1