Path integral Monte Carlo and density functional molecular dynamics simulations of warm dense MgSiO3
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DOI: 10.1103/physrevb.101.024107
Abstract: In order to provide a comprehensive theoretical description of ${\mathrm{MgSiO}}_{3}$ at extreme conditions, we combine results from path integral Monte Carlo and density functional molecular dynamics simulations and generate a consistent equation of state for… read more here.
Keywords: monte carlo; path integral; density functional; density ... See more keywords