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Chemistry of Materials : a Publication of the American Chemical Society
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March 3, 2025
Leveraging Persistent Homology Features for Accurate Defect Formation Energy Predictions via Graph Neural Networks
Zhenyao Fang, Qimin Yan
The Journal of Physical Chemistry Letters
|
November 12, 2019
Chemisorption Can Reverse Defect-Defect Interaction on Heterogeneous Catalyst Surfaces
Liping Yu, Adrienn Ruzsinszky, Qimin Yan
Nature Communications
|
May 26, 2017
Negative Poisson's ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides
Liping Yu, Qimin Yan, Adrienn Ruzsinszky
ACS Nano
|
October 13, 2025
A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials
Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
Scientific Data
|
July 2, 2025
Dataset of tensorial optical and transport properties of materials from the Wannier function method
Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
Advanced Materials (Deerfield Beach, Fla.)
|
January 10, 2024
The Case for a Defect Genome Initiative
Qimin Yan, Swastik Kar, Sugata Chowdhury, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
October 16, 2023
Bilayer Kagome Borophene with Multiple van Hove Singularities
Qian Gao, Qimin Yan, Zhenpeng Hu, et al.
Nature Communications
|
March 1, 2026
Accurate prediction of tensorial spectra using equivariant graph neural network
Ting-Wei Hsu, Zhenyao Fang, Arun Bansil, et al.
Nature Communications
|
January 26, 2022
Antisite defect qubits in monolayer transition metal dichalcogenides
Jeng-Yuan Tsai, Jinbo Pan, Hsin Lin, et al.
Nano Letters
|
March 21, 2020
Hierarchically 3D Porous Ag Nanostructures Derived from Silver Benzenethiolate Nanoboxes: Enabling CO<sub>2</sub> Reduction with a Near-Unity Selectivity and Mass-Specific Current Density over 500 A/g
Sasitha C Abeyweera, Jie Yu, John P Perdew, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
Chemistry of Materials : a Publication of the American Chemical Society
|
March 3, 2025
Leveraging Persistent Homology Features for Accurate Defect Formation Energy Predictions via Graph Neural Networks
Zhenyao Fang, Qimin Yan
The Journal of Physical Chemistry Letters
|
November 12, 2019
Chemisorption Can Reverse Defect-Defect Interaction on Heterogeneous Catalyst Surfaces
Liping Yu, Adrienn Ruzsinszky, Qimin Yan
Nature Communications
|
May 26, 2017
Negative Poisson's ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides
Liping Yu, Qimin Yan, Adrienn Ruzsinszky
ACS Nano
|
October 13, 2025
A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials
Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
Scientific Data
|
July 2, 2025
Dataset of tensorial optical and transport properties of materials from the Wannier function method
Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
Advanced Materials (Deerfield Beach, Fla.)
|
January 10, 2024
The Case for a Defect Genome Initiative
Qimin Yan, Swastik Kar, Sugata Chowdhury, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
October 16, 2023
Bilayer Kagome Borophene with Multiple van Hove Singularities
Qian Gao, Qimin Yan, Zhenpeng Hu, et al.
Nature Communications
|
March 1, 2026
Accurate prediction of tensorial spectra using equivariant graph neural network
Ting-Wei Hsu, Zhenyao Fang, Arun Bansil, et al.
Nature Communications
|
January 26, 2022
Antisite defect qubits in monolayer transition metal dichalcogenides
Jeng-Yuan Tsai, Jinbo Pan, Hsin Lin, et al.
Nano Letters
|
March 21, 2020
Hierarchically 3D Porous Ag Nanostructures Derived from Silver Benzenethiolate Nanoboxes: Enabling CO<sub>2</sub> Reduction with a Near-Unity Selectivity and Mass-Specific Current Density over 500 A/g
Sasitha C Abeyweera, Jie Yu, John P Perdew, et al.
Page
of 4