179 citations · 510 across the 6 of their papers we have counts for
4 papers · 1 filter
ATLAS: A Real-Space Finite-Difference Implementation of Orbital-Free Density Functional Theory
Wenhui Mi, Xuecheng Shao, Chuanxun Su +8
Orbital-free density functional theory (OF-DFT) is a promising method for large-scale quantum mechanics simulation as it provides a good balance of accuracy and computational cost.…
Tellurium Hydrides at High Pressures: High-temperature Superconductors
Xin Zhong, Hui Wang, Jurong Zhang +6
Observation of high-temperature superconductivity in sulfur hydrides at megabar pressures has generated an irresistible wave on searching for new superconductors in other compresse…
Constructing optimal local pseudopotentials from first principles
Wenhui Mi, Shoutao Zhang, Yanming Ma +1
Local pseudopotential (LPP) is an important component of the orbital free density functional theory (OF-DFT), which is a promising large scale simulation method that can still main…
Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
Shoutao Zhang, Yanchao Wang, Jurong Zhang +6
Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional s…