876 citations · 2.5k across the 28 of their papers we have counts for
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cond-mat.stat-mech2020★ 71 cited
Quantum-mechanical exploration of the phase diagram of water
Aleks Reinhardt, Bingqing Cheng
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a…
physics.comp-ph2020★ 5 cited
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…
physics.comp-ph2020★ 36 cited
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…