Fankai Xie

Lu–H–N Phase Diagram from First-Principles Calculations

Fankai Xie, Tenglong Lu, Ze Yu et al. · Chinese Physics Letters · 2023 · 48 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

GPTFF: A high-accuracy out-of-the-box universal AI force field for arbitrary inorganic materials

Fankai Xie, Tenglong Lu, Sheng Meng et al. · Science Bulletin · 2024 · 42 citations · Full text

Natural Sciences, Materials Science, Physics +17

A universal model for accurately predicting the formation energy of inorganic compounds

Yingzong Liang, Mingwei Chen, Yanan Wang et al. · Science China Materials · 2022 · 34 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Predicting structure-dependent Hubbard U parameters via machine learning

Guanghui Cai, Fankai Xie, Huaxian Jia et al. · Materials Futures · 2024 · 25 citations · Full text

Natural Sciences, Chemistry, Materials Science +14