Xiao He

MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions

Haoyu S. Yu, Xiao He, Shaohong Li et al. · Chemical Science · 2016 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +13

MN15-L: A New Local Exchange-Correlation Functional for Kohn–Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids

Haoyu S. Yu, Xiao He, Donald G. Truhlar · Journal of Chemical Theory and Computation · 2016 · 528 citations

Natural Sciences, Chemistry, Physics +17

Revised M06 density functional for main-group and transition-metal chemistry

Ying Wang, Pragya Verma, Xinsheng Jin et al. · Proceedings of the National Academy of Sciences · 2018 · 240 citations · Full text

Natural Sciences, Chemistry, Physics +16

Fragment Quantum Mechanical Calculation of Proteins and Its Applications

Xiao He, Tong Zhu, Xianwei Wang et al. · Accounts of Chemical Research · 2014 · 224 citations

Natural Sciences, Chemistry, Physics +17

Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics

Ying Wang, Xinsheng Jin, Haoyu S. Yu et al. · Proceedings of the National Academy of Sciences · 2017 · 222 citations · Full text

Natural Sciences, Chemistry, Physics +11