57 citations · 57 across the 2 of their papers we have counts for
6 papers
Stabilization of S3O4 at High Pressure-Implications for the Sulfur Excess Paradox
Siyu Liu, Pengyue Gao, Andreas Hermann +5
The geological conundrum of sulfur excess refers to the finding that predicted amounts of sulfur, in the form of SO2, discharged in volcanic eruptions much exceeds the sulfur avail…
Metallic liquid H3O in a thin-shell zone inside Uranus and Neptune
Peihao Huang, Hanyu Liu, Jian Lv +5
The Solar System harbors deep unresolved mysteries despite centuries-long study. A highly intriguing case concerns anomalous non-dipolar and non-axisymmetric magnetic fields of Ura…
Nonlocal Kinetic Energy Density Functionals for Isolated Systems via Local Density Approximation Kernels
Qiang Xu, Jian Lv, Yanchao Wang +1
Despite a large number of nonlocal kinetic energy density functionals (KEDFs) available for large-scale calculations, most of those nonlocal KEDFs designed for the extended systems…
Accelerating CALYPSO Structure Prediction by Data-driven Learning of Potential Energy Surface
Qunchao Tong, Lantian Xue, Jian Lv +2
Ab initio structure prediction methods have been nowadays widely used as powerful tools for structure searches and material discovery. However, they are generally restricted to sma…
Inverse Design of Inorganic Electrides
Yunwei Zhang, Hui Wang, Yanchao Wang +2
Electrides are ionic solids that consist of cationic frameworks and anionic electrons trapped in the voids of lattices. Organic electrides exist in a large abundance, but the therm…
NH: A Novel Polymeric Hydronitrogen as a High Energy Density Material
Ketao Yin, Yanchao Wang, Hanyu Liu +2
The polymeric phase of nitrogen connected by the lower (than three) order N-N bonds has been long sought after for the potential application as high energy density materials. Here…