485 citations · 1.7k across the 31 of their papers we have counts for
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Water's interfacial hydrogen bonding structure reveals the effective strength of surface-water interactions
Sucheol Shin, Adam P. Willard
The interactions of a hydrophilic surface with water can significantly influence the characteristics of the liquid water interface. In this manuscript, we explore this influence by…
Three-body Hydrogen Bond Defects Contribute Significantly to the Dielectric Properties of the Liquid Water-Vapor Interface
Sucheol Shin, Adam P. Willard
In this Letter, we present a simple model of aqueous interfacial molecular structure and we use this model to isolate the effects of hydrogen bonding on the dielectric properties o…
Characterizing Hydration Properties Based on the Orientational Structure of Interfacial Water Molecules
Sucheol Shin, Adam P. Willard
In this manuscript, we present a general computational method for characterizing the molecular structure of liquid water interfaces as sampled from atomistic simulations. With this…
The molecular structure of the interface between water and a hydrophobic substrate is liquid-vapor like
Adam P. Willard, David Chandler
With molecular simulation for water and a tunable hydrophobic substrate, we apply the instantaneous interface construction [A. P. Willard and D. Chandler, J. Phys. Chem. B, 114, 19…
Instantaneous Liquid Interfaces
Adam P. Willard, David Chandler
We describe and illustrate a simple procedure for identifying a liquid interface from atomic coordinates. In particular, a coarse grained density field is constructed, and the inte…