activity
20192026
most citedAI-driven inverse design of materials: Past, present and future

72 citations · 300 across the 34 of their papers we have counts for

collaborators
Showing 2025Show all

9 papers · 1 filter

cond-mat.mtrl-sci2025

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,…

cond-mat.mtrl-sci2025

Anomalous charge density wave in altermagnetism

Zi-Hao Ding, Lei Wang, Zhen-Feng Ouyang +6

Exploring the intricate interplay between magnetism and charge density waves has long been a fundamental pursuit at the forefront of condensed matter research. In this letter, base…

cond-mat.supr-con2025

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…

cond-mat.str-el2025

Strongly correlated altermagnet CaCrO

Zhenfeng Ouyang, Peng-Jie Guo, Rong-Qiang He +1

Altermagnetism, a newly discovered magnetic phase, has spurred growing research activity. Studies from a perspective of dynamical electronic correlation still remain scarce. Employ…

cond-mat.supr-con2025★ 2 cited

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…

cond-mat.mtrl-sci2025★ 17 cited

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…

cond-mat.mtrl-sci2025★ 5 cited

Unconventional compensated magnetic material LaMnSbO

Xiao-Yao Hou, Ze-Feng Gao, Huan-Cheng Yang +2

Unconventional magnetism including altermagnetism and unconventional compensated magnetism, characterized by its duality of real-space antiferromagnetic alignment and momentum-spac…

cond-mat.mtrl-sci2025★ 1 cited

Luttinger compensated bipolarized magnetic semiconductor

Peng-Jie Guo, Xiao-Yao Hou, Ze-Feng Gao +3

Altermagnetic materials, with real-space antiferromagnetic arrangement and reciprocal-space anisotropic spin splitting, have attracted much attention. However, the spin splitting i…

cond-mat.supr-con2025★ 17 cited

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…