Qunchao Tong

Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and Discovery

Qunchao Tong, Pengyue Gao, Hanyu Liu et al. · The Journal of Physical Chemistry Letters · 2020 · 100 citations

Engineering, Machine Learning, Machine Learning Tool +20

The CALYPSO methodology for structure prediction*

Qunchao Tong, Jian Lv, Pengyue Gao et al. · Chinese Physics B · 2019 · 47 citations

Engineering, Machine Learning, Material Simulation +23

X-ray diffraction data-assisted structure searches

Pengyue Gao, Qunchao Tong, Jian Lv et al. · Computer Physics Communications · 2016 · 42 citations

X-ray Crystallography, Engineering, Physics +7

Hard and superconducting cubic boron phase via swarm-intelligence structural prediction driven by a machine-learning potential

Qiuping Yang, Jian Lv, Qunchao Tong et al. · Physical review. B./Physical review. B · 2021 · 26 citations · Full text

Crystal Structure, Superconducting Material, Engineering +22

Machine learning metadynamics simulation of reconstructive phase transition

Qunchao Tong, Xiaoshan Luo, Adebayo A. Adeleke et al. · Physical review. B./Physical review. B · 2021 · 26 citations

Materials Science, Phase Transitions, High Accuracy +13