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physics.comp-ph2026
Van der Waals interactions in supercritical water under Earth's mantle conditions
Jiajia Huang, Rui Hou, Ding Pan
The properties of water under high pressure and high temperature (HP-HT) are critical in multiple geochemical processes in deep Earth. Ab initio molecular dynamics (AIMD) is a prom…
physics.comp-ph2021★ 1 cited
Raman spectra of hydrocarbons under extreme conditions of pressure and temperature: a first-principles study
Rui Hou, Ding Pan
Hydrocarbons are of great importance in carbon-bearing fluids in deep Earth and in ice giant planets at extreme pressure (P)-temperature (T) conditions. Raman spectroscopy is a pow…