Yafan Zhao

发表

A first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation

Xingyu Gao, Haifeng Song, Shourui Li, 2019, 1903.02773.

Force-based gradient descent method for ab initio atomic structure relaxation

Xingyu Gao, Yukuan Hu, Ya-Fan Zhao, 2022, Physical Review B.

A structural modeling approach to solid solutions based on the similar atomic environment.

Xingyu Gao, D. Lin, Haifeng Song, 2018, The Journal of chemical physics.

Three component flow mapping - Experiences in stereoscopic PIV and holographic velocimetry

Ya-Fan Zhao, I. Grant, Ian P. Grant, 1991 .

Machine learning enhanced empirical potentials for metals and alloys

Xin Chen, Li-Fang Wang, Xingyu Gao, 2021 .

Local cation ordering in compositionally complex Ruddlesden–Popper n = 1 oxides

C. Bridges, A. Borisevich, K. Page, 2023, APL Materials.

Structure and thermodynamic properties of zirconium hydrides by structure search method and first principles calculations

Xingyu Gao, D. Lin, Haifeng Song, 2018, Computational Materials Science.

New zirconium hydrides predicted by structure search method based on first principles calculations

Xingyu Gao, D. Lin, Haifeng Song, 2017, 1703.01154.

Novel structures of oxygen adsorbed on a Zr(0001) surface predicted from first principles

Jian Lv, Yanchao Wang, Yanming Ma, 2017 .

TensorAlloy: An automatic atomistic neural network program for alloys

Xingyu Gao, Xin Chen, Ya-Fan Zhao, 2020, Comput. Phys. Commun..

Effect of Xe bubbles on the thermal conductivity of UO2: Mechanisms and model establishment

Tong Liu, D. Lin, Haifeng Song, 2020 .