72 citations · 108 across the 8 of their papers we have counts for
5 papers · 1 filter
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,…
Superconductivity in atom-intercalated quaternary hydrides under ambient pressure
Bo-Wen Yao, Zhenfeng Ouyang, Xiao-Qi Han +4
Hydrogen-rich materials are the most promising candidates for high-temperature conventional superconductors under ambient pressure. Multinary hydrides have abundant structural conf…
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…
High-temperature superconductivity in LiAuH mediated by strong electron-phonon coupling under ambient pressure
Zhenfeng Ouyang, Bo-Wen Yao, Xiao-Qi Han +3
We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure LiAuH with Au-H…