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The Journal of Chemical Physics
|
July 8, 2025
A scalable machine learning multi-local regression framework for potential energy surface fitting across diverse chemical landscapes
Kai-Le Jiang, Huai-Qian Wang, Hui-Fang Li, et al.
The Journal of Physical Chemistry. A
|
October 8, 2025
Enhancing SchNet-Based Structure Prediction for Doped Clusters via Transfer Learning and Fine-Tuning
Zi-Xin Wen, Hui-Fang Li, Kai-Le Jiang, et al.
Journal of Chemical Information and Modeling
|
January 13, 2025
SchNet_IIA: Potential Energy Surface Fitting by Interatomic Interactions Attention Based on Transfer Learning Analysis
Kai-Le Jiang, Huai-Qian Wang, Hui-Fang Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2024
Discovering SnB<sub>7</sub><sup>-</sup>: a half-sandwich structure with double aromaticity and pathways to molecular machines
Yong-Hang Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
Journal of Computational Chemistry
|
August 13, 2024
The high electron mobility for spin-down channel of two-dimensional spin-polarized half-metallic ferromagnetic EuSi<sub>2</sub>N<sub>4</sub> monolayer
Bo Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
The Journal of Physical Chemistry. A
|
July 8, 2024
Probing the Structural and Electronic Properties of the Anionic and Neutral Tellurium-Doped Boron Clusters TeB<sub></sub><sup></sup> (<i>n</i> = 3-16, <i>q</i> = 0, -1)
Yong-Hang Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
Journal of Computational Chemistry
|
January 20, 2024
Aromatic and magnetic properties in a series of heavy rare earth-doped Ge<sub>6</sub> cluster anions
Jia-Ming Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 8, 2025
A scalable machine learning multi-local regression framework for potential energy surface fitting across diverse chemical landscapes
Kai-Le Jiang, Huai-Qian Wang, Hui-Fang Li, et al.
The Journal of Physical Chemistry. A
|
October 8, 2025
Enhancing SchNet-Based Structure Prediction for Doped Clusters via Transfer Learning and Fine-Tuning
Zi-Xin Wen, Hui-Fang Li, Kai-Le Jiang, et al.
Journal of Chemical Information and Modeling
|
January 13, 2025
SchNet_IIA: Potential Energy Surface Fitting by Interatomic Interactions Attention Based on Transfer Learning Analysis
Kai-Le Jiang, Huai-Qian Wang, Hui-Fang Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2024
Discovering SnB<sub>7</sub><sup>-</sup>: a half-sandwich structure with double aromaticity and pathways to molecular machines
Yong-Hang Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
Journal of Computational Chemistry
|
August 13, 2024
The high electron mobility for spin-down channel of two-dimensional spin-polarized half-metallic ferromagnetic EuSi<sub>2</sub>N<sub>4</sub> monolayer
Bo Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
The Journal of Physical Chemistry. A
|
July 8, 2024
Probing the Structural and Electronic Properties of the Anionic and Neutral Tellurium-Doped Boron Clusters TeB<sub></sub><sup></sup> (<i>n</i> = 3-16, <i>q</i> = 0, -1)
Yong-Hang Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
Journal of Computational Chemistry
|
January 20, 2024
Aromatic and magnetic properties in a series of heavy rare earth-doped Ge<sub>6</sub> cluster anions
Jia-Ming Zhang, Huai-Qian Wang, Hui-Fang Li, et al.
Page
of 1