Efficient and Equivariant Graph Networks for Predicting Quantum
Hamiltonian

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Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian

8 June 2023

Haiyang Yu

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

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Title
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 Yunyang Li Zaishuo Xia Lin Huang Xinran Wei Han Yang ... Zun Wang Chang-Shu Liu Jia Zhang Jia Zhang Mark B. Gerstein 155 3 0 26 Feb 2025
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 Feitong Song Ji Feng 68 1 0 22 Jun 2024
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