2 papers
cond-mat.soft2018
Characterizing Surface Wetting and Interfacial Properties using Enhanced Sampling (SWIPES)
Hao Jiang, Suruchi Fialoke, Zachariah Vicars +1
We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface,…
cond-mat.stat-mech2018
Sparse Sampling of Water Density Fluctuations near Liquid-Vapor Coexistence
Erte Xi, Sean M. Marks, Suruchi Fialoke +1
The free energetics of water density fluctuations in bulk water, at interfaces, and in hydrophobic confinement inform the hydration of hydrophobic solutes as well as their interact…