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- W2181602879 abstract "temperature. In this talk, accelerated path-integral molecular dynamics simulations of the solid and liquid atomic phases are performed at pressures near molecular dissociation to the ultrahigh regime. Coupling-constant integrations at finite temperature are performed to estimate the entropies of the two phases at reference points, and thermodynamic integrations are used to determine the Gibbs free-energies over a wide range of pressure and temperature conditions. From these results, we construct the phase diagram of dense hydrogen, from molecular dissociation to ultrahigh pressures." @default.
- W2181602879 created "2016-06-24" @default.
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- W2181602879 date "2012-01-01" @default.
- W2181602879 modified "2023-09-26" @default.
- W2181602879 title "On the Molecular Dissociation of Dense Hydrogen and the Solid/Liquid Transition in the Atomic Phase via Free-energy Calculations" @default.
- W2181602879 hasPublicationYear "2012" @default.
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