15 citations · 16 across the 7 of their papers we have counts for
10 papers
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…
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…
PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation
Xiao-Qi Han, Ze-Feng Gao, Wen-Kao Li +2
In recent years, generative artificial intelligence has made significant advances in the design of crystalline materials, giving rise to approaches based on graph neural networks,…
HTSC-2025: A Benchmark Dataset of Ambient-Pressure High-Temperature Superconductors for AI-Driven Critical Temperature Prediction
Xiao-Qi Han, Ze-Feng Gao, Xin-De Wang +3
The discovery of high-temperature superconducting materials holds great significance for human industry and daily life. In recent years, research on predicting superconducting tran…
InvDesFlow-AL: active learning-based workflow for inverse design of functional materials
Xiao-Qi Han, Peng-Jie Guo, Ze-Feng Gao +2
Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon cap…