30 citations · 39 across the 4 of their papers we have counts for
5 papers
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…
Raman and IR spectra of water under graphene nanoconfinement at ambient and extreme pressure-temperature conditions: a first-principles study
Rui Hou, Chu Li, Ding Pan
The nanoconfinement of water can result in dramatic differences in its physical and chemical properties compared to bulk water. However, a detailed molecular-level understanding of…
Ab initio molecular dynamics modelling of organic crystal electro-optical properties
Hovan Lee, Rui Hou, Ding Pan +2
Molecular dynamics calculations were preformed on organic crystals 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) and 4-N,N-dimethylamino-4'-N'-methylstilbazolium 2,…
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…
Dielectric constant of supercritical water in a large pressure-temperature range
Rui Hou, Yuhui Quan, Ding Pan
A huge amount of water at supercritical conditions exists in Earth's interior, where its dielectric properties play a critical role in determining how it stores and transports mate…