Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …

Hydrophobic interactions are involved in and believed to be the fundamental driving force of
many chemical and biological phenomena in aqueous environments. This review focuses …

This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …

Although experimental and theoretical studies have addressed the question of the wetting
properties of graphene, the actual value of the contact angle of water on an isolated …

The hydrophobic effect—the tendency for oil and water to segregate—is important in diverse
phenomena, from the cleaning of laundry, to the creation of micro-emulsions to make new …

First-principles predictions play an important role in understanding chemistry at the
electrochemical interface. Electronic structure calculations are straightforward for vacuum …

Oil and water do not mix. The disaffinity of oil for water, with its unusual temperature
dependence, is called the hydrophobic effect. It is important to understand the factors …

We consider the calculation of the surface tension from simulations of several models of
water, such as the traditional TIP3P, SPC, SPC/E, and TIP4P models, and the new …

Water molecules confined to nonpolar pores and cavities of nanoscopic dimensions exhibit
highly unusual properties. Water filling is strongly cooperative, with the possible coexistence …

The aversion of hydrophobic solutes for water drives diverse interactions and assemblies
across materials science, biology, and beyond. Here, we review the theoretical …