In this study, we present an ab initio equation of state (EOS) of solid and liquid neon under extreme conditions using quantum molecular dynamics. We calculate the EOS over a wide range of densities and temperatures up to $14{\mathrm{g}/\mathrm{cm}}^3$ and 100 kK, respectively, and obtain the melting curve of neon up to 3.5 TPa using the $Z$ method. We verify our results by reproducing shock Hugoniot and isentropic compression from recent experimental data. In addition, we study the electrical conductivity of neon under different thermodynamic conditions using the Kubo-Greenwood formula, which provides insight into the onset of neon metallization at high pressures. A new mathematically rigorous method is used to evaluate the delta-function broadening in electrical conductivity calculations. We outline the metallization region of neon and explain the absence of neon conductivity in several shock-wave experiments.

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• Electrical conductivity
• Equations of state
• High-energy-density plasmas
• High-pressure studies
• Liquid-solid phase transition
• Shock waves
• Thermal properties
• Thermodynamics
• Warm-dense matter
• Ab initio molecular dynamics
• Density functional theory
• First-principles calculations
• Linear response theory