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Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian
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Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian

Haiyang Yu
Zhao Xu
X. Qian
Xiaoning Qian
Shuiwang Ji
ArXiv (abs)PDFHTMLGithub (629★)

Papers citing "Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian"

5 / 5 papers shown
Title
High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
Seongsu Kim
N. Kim
Dongwoo Kim
SungSoo Ahn
39
0
0
24 May 2025
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Yunyang Li
Zaishuo Xia
Lin Huang
Xinran Wei
Han Yang
...
Zun Wang
Chang-Shu Liu
Jia Zhang
Jia Zhang
Mark B. Gerstein
152
3
0
26 Feb 2025
Learning local equivariant representations for quantum operators
Learning local equivariant representations for quantum operators
Zhanghao Zhouyin
Zixi Gan
MingKang Liu
S. K. Pandey
Linfeng Zhang
Qiangqiang Gu
212
5
0
28 Jan 2025
NeuralSCF: Neural network self-consistent fields for density functional theory
NeuralSCF: Neural network self-consistent fields for density functional theory
Feitong Song
Ji Feng
68
1
0
22 Jun 2024
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
Keqiang Yan
Alexandra Saxton
Xiaofeng Qian
Xiaoning Qian
Shuiwang Ji
67
8
0
03 Jun 2024

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