445 citations · 2.1k across the 47 of their papers we have counts for
47 papers
Understanding the physics of hydrophobic solvation
Mary K. Coe, Robert Evans, Nigel B. Wilding
Simulations of water near extended hydrophobic spherical solutes have revealed the presence of a region of depleted density and accompanying enhanced density fluctuations.The physi…
Measures of Fluctuations for a Liquid Near Critical Drying
Mary K. Coe, Robert Evans, Nigel B. Wilding
We investigate density fluctuations in a liquid close to a solvophobic substrate at which a surface critical drying transition occurs. Using classical density functional theory, we…
Density depletion and enhanced fluctuations in water near hydrophobic solutes: identifying the underlying physics
Mary K. Coe, Robert Evans, Nigel B. Wilding
We investigate the origin of the density depletion and enhanced density fluctuations that occur in water in the vicinity of an extended hydrophobic solute. We argue that both pheno…
Bypassing the energy functional in density functional theory: Direct calculation of electronic energies from conditional probability densities
Ryan J. McCarty, Dennis Perchak, Ryan Pederson +4
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calcu…
A unified description of hydrophilic and superhydrophobic surfaces in terms of the wetting and drying transitions of liquids
Robert Evans, Maria C. Stewart, Nigel B. Wilding
Clarifying the factors that control the contact angle of a liquid on a solid substrate is a long-standing scientific problem pertinent across physics, chemistry and materials scien…
On the decay of the pair correlation function and the line of vanishing excess isothermal compressibility in simple fluids
Daniel Stopper, Hendrik Hansen-Goos, Roland Roth +1
We re-visit the competition between attractive and repulsive interparticle forces in simple fluids and how this governs and connects the macroscopic phase behavior and structural p…