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20032026
most citedQuantum Spin Hall Effect and Topological Field Effect Transistor in Two-Dimensional Transition Metal Dichalcogenides

2.1k citations · 2.5k across the 17 of their papers we have counts for

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2 papers · 1 filter

physics.chem-ph2023★ 3 cited

QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules

Haiyang Yu, Meng Liu, Youzhi Luo +4

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as d…

cs.LG2023★ 3 cited

Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian

Haiyang Yu, Zhao Xu, Xiaofeng Qian +2

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflict…