Crystal Hypergraph Convolutional Networks
Fuente:
arXiv
Saved in:
| Main Authors: | Heilman, Alexander J., Gong, Weiyi, Yan, Qimin |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
by: Heilman, Alex, et al.
Published: (2024)
by: Heilman, Alex, et al.
Published: (2024)
Bridging deep learning force fields and electronic structures with a physics-informed approach
by: Qi, Yubo, et al.
Published: (2024)
by: Qi, Yubo, et al.
Published: (2024)
Symmetry-guided data-driven discovery of native quantum defects in two-dimensional materials
by: Tsai, Jeng-Yuan, et al.
Published: (2024)
by: Tsai, Jeng-Yuan, et al.
Published: (2024)
Materials design based on a material-motif network and heterogeneous graphs
by: Aryal, Anoj, et al.
Published: (2026)
by: Aryal, Anoj, et al.
Published: (2026)
Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach
by: Gong, Weiyi, et al.
Published: (2024)
by: Gong, Weiyi, et al.
Published: (2024)
Towards Accurate Prediction of Configurational Disorder Properties in Materials using Graph Neural Networks
by: Fang, Zhenyao, et al.
Published: (2024)
by: Fang, Zhenyao, et al.
Published: (2024)
Leveraging Persistent Homology Features for Accurate Defect Formation Energy Predictions via Graph Neural Networks
by: Fang, Zhenyao, et al.
Published: (2024)
by: Fang, Zhenyao, et al.
Published: (2024)
Accurate Prediction of Tensorial Spectra Using Equivariant Graph Neural Network
by: Hsu, Ting-Wei, et al.
Published: (2025)
by: Hsu, Ting-Wei, et al.
Published: (2025)
Database of Tensorial Optical and Transport Properties of Materials From the Wannier Function Method
by: Fang, Zhenyao, et al.
Published: (2025)
by: Fang, Zhenyao, et al.
Published: (2025)
A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials
by: Fang, Zhenyao, et al.
Published: (2025)
by: Fang, Zhenyao, et al.
Published: (2025)
SR-CGCNN: Shared Recurrent Convolution in Crystal Graph Neural Networks for Materials Property Prediction
by: Bhattacharjee, Satadeep
Published: (2026)
by: Bhattacharjee, Satadeep
Published: (2026)
CTGNN: Crystal Transformer Graph Neural Network for Crystal Material Property Prediction
by: Du, Zijian, et al.
Published: (2024)
by: Du, Zijian, et al.
Published: (2024)
Switching between Antiferromagnetic and Ferromagnetic Skyrmions in Two-Dimensional Magnets
by: Jiang, Xinyang, et al.
Published: (2026)
by: Jiang, Xinyang, et al.
Published: (2026)
Quantitative and bond-traceable resonant X-ray optical tensors of organic molecules
by: Murcia, Victor, et al.
Published: (2025)
by: Murcia, Victor, et al.
Published: (2025)
Tunable Edelstein effect in intrinsic two-dimensional ferroelectric metal PtBi$_{2}$
by: Pan, Weiyi, et al.
Published: (2026)
by: Pan, Weiyi, et al.
Published: (2026)
Magnetization-dependent and stacking-tunable Edelstein effect in two-dimensional magnet 2H-VTe2
by: Pan, Weiyi, et al.
Published: (2026)
by: Pan, Weiyi, et al.
Published: (2026)
General First-Principles Approach to Crystals in Finite Magnetic Fields
by: Lü, Chengye, et al.
Published: (2025)
by: Lü, Chengye, et al.
Published: (2025)
Transferable 3D Convolutional Neural Networks for Elastic Constants Prediction in Nanoporous Metals
by: Zorkaltsev, Sergei, et al.
Published: (2026)
by: Zorkaltsev, Sergei, et al.
Published: (2026)
Convolutional Neural Networks and Volcano Plots: Screening and Prediction of Two-Dimensional Single-Atom Catalysts
by: Yang, Haoyu, et al.
Published: (2024)
by: Yang, Haoyu, et al.
Published: (2024)
Giant magnetic anisotropy of Pb atoms in 3d-based magnets
by: Xia, Weiyi, et al.
Published: (2024)
by: Xia, Weiyi, et al.
Published: (2024)
Switching between Skyrmions and Yoshimori Spin Spirals via Li Absorption in Janus Magnets
by: Jiang, Xinyuan, et al.
Published: (2025)
by: Jiang, Xinyuan, et al.
Published: (2025)
Symmetry-Aware Bayesian Flow Networks for Crystal Generation
by: Ruple, Laura, et al.
Published: (2025)
by: Ruple, Laura, et al.
Published: (2025)
VQCrystal: Leveraging Vector Quantization for Discovery of Stable Crystal Structures
by: Qiu, ZiJie, et al.
Published: (2024)
by: Qiu, ZiJie, et al.
Published: (2024)
Symmetry-Protected Minimum of Four Conventional Weyl Points in Nonmagnetic Crystals
by: Xue, Ze-Xin, et al.
Published: (2026)
by: Xue, Ze-Xin, et al.
Published: (2026)
Crystal design of altermagnetism
by: Zhou, Zhiyuan, et al.
Published: (2024)
by: Zhou, Zhiyuan, et al.
Published: (2024)
Mathematical Crystal Chemistry
by: Koshoji, Ryotaro, et al.
Published: (2024)
by: Koshoji, Ryotaro, et al.
Published: (2024)
An Efficient High-Degree, High-Order Equivariant Graph Neural Network for Direct Crystal Structure Optimization
by: Yang, Ziduo, et al.
Published: (2026)
by: Yang, Ziduo, et al.
Published: (2026)
Universal and Experiment-calibrated Prediction of XANES through Crystal Graph Neural Network and Transfer Learning Strategy
by: Lin, Zichang, et al.
Published: (2025)
by: Lin, Zichang, et al.
Published: (2025)
Self-Supervised Generative Models for Crystal Structures
by: Liu, Fangze, et al.
Published: (2023)
by: Liu, Fangze, et al.
Published: (2023)
Strain Engineering of Intrinsic Anomalous Hall and Nernst Effects in Altermagnetic MnTe at Realistic Doping Levels
by: Chen, Weiwei, et al.
Published: (2026)
by: Chen, Weiwei, et al.
Published: (2026)
Multimer Embedding for Molecular Crystals Utilizing up to Tetramer Interactions
by: List, Alexander, et al.
Published: (2025)
by: List, Alexander, et al.
Published: (2025)
Experimental Powder X-ray Diffraction Crystal Structure Determination with RealPXRD-Solver
by: Li, Qi, et al.
Published: (2026)
by: Li, Qi, et al.
Published: (2026)
Crystal valley Hall effect
by: Tan, Chao-Yang, et al.
Published: (2024)
by: Tan, Chao-Yang, et al.
Published: (2024)
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
by: Yan, Keqiang, et al.
Published: (2024)
by: Yan, Keqiang, et al.
Published: (2024)
The Madelung Problem of Finite Crystals
by: Zhao, Yihao, et al.
Published: (2025)
by: Zhao, Yihao, et al.
Published: (2025)
Crystal Representation in the Reciprocal Space
by: Ridwan, Osman Goni, et al.
Published: (2026)
by: Ridwan, Osman Goni, et al.
Published: (2026)
Metadynamics for Vacancy Dynamics in Crystals
by: Toyoura, Kazuaki, et al.
Published: (2026)
by: Toyoura, Kazuaki, et al.
Published: (2026)
Combining Reinforcement Learning with Graph Convolutional Neural Networks for Efficient Design of TiAl/TiAlN Atomic-Scale Interfaces
by: Jiang, Xinyu, et al.
Published: (2024)
by: Jiang, Xinyu, et al.
Published: (2024)
Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides
by: Conway, Lewis J., et al.
Published: (2025)
by: Conway, Lewis J., et al.
Published: (2025)
Coexistence of low and high spin states in La$_{18}$Co$_{28}$Pb$_{3}$
by: Xia, Weiyi, et al.
Published: (2024)
by: Xia, Weiyi, et al.
Published: (2024)
Similar Items
-
Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
by: Heilman, Alex, et al.
Published: (2024) -
Bridging deep learning force fields and electronic structures with a physics-informed approach
by: Qi, Yubo, et al.
Published: (2024) -
Symmetry-guided data-driven discovery of native quantum defects in two-dimensional materials
by: Tsai, Jeng-Yuan, et al.
Published: (2024) -
Materials design based on a material-motif network and heterogeneous graphs
by: Aryal, Anoj, et al.
Published: (2026) -
Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach
by: Gong, Weiyi, et al.
Published: (2024)