3 papers
cond-mat.supr-con2026
The Impact of Ionic Anharmonicity on Superconductivity in Metal-Stuffed B-C Clathrates
Wenbo Zhao, Ying Sun, Jiaxiang Li +8
Metal-stuffed BC compounds with sodalite clathrate structure have captured increasing attention due to their predicted exceptional superconductivity above liquid nitrogen temper…
cond-mat.mtrl-sci2025
Self-Optimizing Machine Learning Potential Assisted Automated Workflow for Highly Efficient Complex Systems Material Design
Jiaxiang Li, Junwei Feng, Jie Luo +9
Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure predicti…
cond-mat.mtrl-sci2025
ARES-Phonon: Phonon Calculation Package using Nondiagonal Supercell Finite Displacement Method with Machine Learning
Qian Wang, Jiaxiang Li, Yu Xie
We have developed a phonon calculation software based on the supercell finite displacement method: ARES-Phonon. It can perform phonon and related property calculations using either…