502 citations · 1k across the 26 of their papers we have counts for
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Sparse Sampling of Water Density Fluctuations in Interfacial Environments
Erte Xi, Richard C. Remsing, Amish J. Patel
The free energetics of water density fluctuations near a surface, and the rare low-density fluctuations in particular, serve as reliable indicators of surface hydrophobicity; the e…
SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials
Jianwei Sun, Richard C. Remsing, Yubo Zhang +9
Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio mol…
Pathways to dewetting in hydrophobic confinement
Richard C. Remsing, Erte Xi, Srivathsan Vembanur +4
Liquid water can become metastable with respect to its vapor in hydrophobic confinement. The resulting dewetting transitions are often impeded by large kinetic barriers. According…
Hydrophobicity Scaling of Aqueous Interfaces by an Electrostatic Mapping
Richard C. Remsing, John D. Weeks
An understanding of the hydrophobicity of complex heterogeneous molecular assemblies is crucial to characterize and predict interactions between biomolecules. As such, uncovering t…
Dissecting Hydrophobic Hydration and Association
Richard C. Remsing, John D. Weeks
We use appropriately defined short ranged reference models of liquid water to clarify the different roles local hydrogen bonding, van der Waals attractions, and long ranged electro…