263 citations · 978 across the 13 of their papers we have counts for
13 papers
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…
Connecting water correlations, fluctuations, and wetting phenomena at hydrophobic and hydrophilic surfaces
Rahul Godawat, Sumanth N. Jamadagni, Vasudevan Venkateshwaran +1
We use molecular simulations to demonstrate the connection between transverse water-water correlations and wetting phenomena for a range of hydrophobic to hydrophilic solid surface…
Sitting at the edge: How biomolecules use hydrophobicity to tune their interactions and function
Amish J. Patel, Patrick Varilly, Sumanth N. Jamadagni +3
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to that in bulk water. Here we use…
Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling
Amish J. Patel, Patrick Varilly, David Chandler +1
Water density fluctuations are an important statistical mechanical observable that is related to many-body correlations, as well as hydrophobic hydration and interactions. Local wa…
Extended surfaces modulate and can catalyze hydrophobic effects
Amish J. Patel, Patrick Varilly, Sumanth N. Jamadagni +3
Interfaces are a most common motif in complex systems. To understand how the presence of interfaces affect hydrophobic phenomena, we use molecular simulations and theory to study h…
Modeling the selective partitioning of cations into negatively charged nanopores in water
Lu Yang, Shekhar Garde
Partitioning and transport of water and small solutes into and through nanopores is important to a variety of chemical and biological processes and applications. Here we study the…