876 citations · 2.5k across the 28 of their papers we have counts for
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cond-mat.stat-mech2023★ 10 cited
A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
Aleks Reinhardt, Pin Yu Chew, Bingqing Cheng
Computing the solubility of crystals in a solvent using atomistic simulations is notoriously challenging due to the complexities and convergence issues associated with free-energy…
cond-mat.mtrl-sci2023
Water dissociation on pristine low-index TiO2 surfaces
Zezhu Zeng, Felix Wodaczek, Keyang Liu +4
Water absorption and dissociation processes on pristine low-index TiO interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To…
cond-mat.stat-mech2023★ 5 cited
Computing chemical potentials of adsorbed or confined fluids
Rochus Schmid, Bingqing Cheng
The chemical potential of adsorbed or confined fluids provides insight into their unique thermodynamic properties and determines adsorption isotherms. However, it is often difficul…