199 citations · 308 across the 9 of their papers we have counts for
12 papers
Permutation invariant multi-scale full quantum neural network wavefunction
Pengzhen Cai, Yubing Qian, Li Deng +8
Solving the intricate quantum behavior of interacting particles is key to unlocking the mysteries of condensed matter, but capturing their complex correlations across different sca…
Non-perturbative approach for calculating the electrical conductivity of a liquid metal
Xiao-Wei Zhang, Haoran Chen, En-Ge Wang +2
We propose a non-perturbative approach to calculate the electrical conductivity of a liquid metal. Our approach is based on the Kubo formula and the theory of electro…
Structural and electronic properties of solid molecular hydrogen from many-electron theories
Ke Liao, Tong Shen, Xin-Zheng Li +2
We study the structural and electronic properties of phase III of solid hydrogen using accurate many-electron theories and compare to state-of-the-art experimental findings. The at…
The dynamic nature of high pressure ice VII
Qi-Jun Ye, Lin Zhuang, Xin-Zheng Li
Starting from Shannon's definition of dynamic entropy, we proposed a simple theory to describe the transition between different rare event related dynamic states in condensed matte…
A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures
Ke Liao, Xin-Zheng Li, Ali Alavi +1
Identifying the atomic structure and properties of solid hydrogen under high pressures is a long-standing problem of high-pressure physics with far-reaching significance in planeta…
The influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical spectra of hexagonal boron nitride
Tong Shen, Xiao-Wei Zhang, Honghui Shang +5
We report band diagram and optical absorption spectra of hexagonal boron nitride (-BN), focusing on unravelling how the completeness of basis set for calculat…