2.1k citations · 2.5k across the 17 of their papers we have counts for
17 papers
Ising models on the hydrogen peroxide and other lattices
Xiaofeng Qian, Youjin Deng, Lev N. Shchur +1
We perform a Monte Carlo analysis of the Ising model on many three-dimensional lattices. By means of finite-size scaling we obtain the critical points and determine the scaling dim…
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…
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…
Complex Dirac-like Electronic Structure in Atomic Site Ordered Rh3In3.4Ge3.6
Aikaterini Flessa Savvidou, Judith K. Clark, Hua Wang +6
We report the synthesis via an indium flux method of a novel single-crystalline compound Rh3In3.4Ge3.6 that belongs to the cubic Ir3Ge7 structure type. In Rh3In3.4Ge3.6, the In and…
Graph Neural Network for Hamiltonian-Based Material Property Prediction
Hexin Bai, Peng Chu, Jeng-Yuan Tsai +4
Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Tradi…
Large Family of Two-Dimensional Ferroelectric Metals Discovered via Machine Learning
Xing-Yu Ma, Hou-Yi Lyu, Kuan-Rong Hao +4
Ferroelectricity and metallicity are usually believed not to coexist because conducting electrons would screen out static internal electric fields. In 1965, Anderson and Blount pro…