72 citations · 151 across the 25 of their papers we have counts for
30 papers
Continuous-Time Quantum Walks based Graph Neural Network
Yuliang Zhan, Zefeng Gao, Jian Li +2
Graph Neural Networks (GNNs) are widely used on graph-structured data, but most suffer from two key weaknesses. First, message passing behaves as a low-pass filter under the homoph…
Screening phonon-mediated superconductors from static orbital Hamiltonians
Jian-Feng Zhang, Ze-Feng Gao, Xiao-Qi Han +6
The first-principles search for superconductors is severely limited by the high cost of electron-phonon coupling (EPC) calculations. Here we develop a low-cost, physically transpar…
Twist-induced magnetic topological phase transition in stacked altermagnetic CrO
Zi-Hao Ding, Ze-Feng Gao, Xiang-Hua Kong +2
Interlayer twisting offers a geometric route to controlling electronic states, but whether it can simultaneously reconstruct magnetic symmetry and band topology remains unclear. He…
Emergent d-wave altermagnetism in chlorine-adsorbed FeSe monolayer
Zi-Hao Ding, Ze-Feng Gao, Kai Liu +2
The recent emergence of altermagnetism has opened new frontiers in condensed matter physics, yet material platforms capable of hosting both intrinsic altermagnetic order and superc…
PhononScore: a phonon-aware scoring function for dynamical stability
Xiao-Qi Han, Ze-Feng Gao, Zhong-Yi Lu
In recent years, crystal generation models have enabled the design of massive numbers of candidate materials. However, the lack of dynamical stability among generated structures ha…
NQS-Agent: Health-Aware Agentic Hyperparameter Optimization for Neural-Network Quantum States
Jia-Qi Wang, Xiao-Qi Han, Ze-Feng Gao +2
Neural-network quantum states (NQS) provide expressive variational representations for strongly correlated quantum many-body systems, but their practical accuracy depends sensitive…