118 citations · 176 across the 5 of their papers we have counts for
5 papers
Molecular details and free energy barriers of ion de-coordination at elevated salinity and pressure and their consequences for membrane separations
Nathanael S. Schwindt, Razi Epsztein, Anthony P. Straub +2
Ion dehydration has been hypothesized to strongly influence separation performance in membrane systems and ion transport in nanoscale channels. However, the molecular details of io…
Why does dissolving salt in water decrease its dielectric permittivity
Chunyi Zhang, Shuwen Yue, Athanassios Z. Panagiotopoulos +2
The dielectric permittivity of salt water decreases on dissolving more salt. For nearly a century, this phenomenon has been explained by invoking saturation in the dielectric respo…
A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models
Aditya Nandy, Shuwen Yue, Changhwan Oh +4
High-throughput screening of large hypothetical databases of metal-organic frameworks (MOFs) can uncover new materials, but their stability in real-world applications is often unkn…
Dissolving salt is not equivalent to applying a pressure on water
Chunyi Zhang, Shuwen Yue, Athanassios Z. Panagiotopoulos +2
Salt water is ubiquitous, playing crucial roles in geological and physiological processes. Despite centuries of investigations, whether or not water's structure is drastically chan…
Vapor-liquid equilibrium of water with the MB-pol many-body potential
Maria Carolina Muniz, Thomas E. Gartner, Marc Riera +4
Among the many existing molecular models of water, the MB-pol many-body potential has emerged as a remarkably accurate model, capable of reproducing thermodynamic, structural, and…