876 citations · 2.5k across the 28 of their papers we have counts for
3 papers · 1 filter
Predicting the phase behaviors of superionic water at planetary conditions
Bingqing Cheng, Mandy Bethkenhagen, Chris J. Pickard +1
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoreticall…
Extracting ice phases from liquid water: why a machine-learning water model generalizes so well
Bartomeu Monserrat, Jan Gerit Brandenburg, Edgar A. Engel +1
We investigate the structural similarities between liquid water and 53 ices, including 20 knowncrystalline phases. We base such similarity comparison on the local environments that…
Computing the heat conductivity of fluids from density fluctuations
Bingqing Cheng, Daan Frenkel
Equilibrium molecular dynamics simulations, in combination with the Green-Kubo (GK) method, have been extensively used to compute the thermal conductivity of liquids. However, the…