The notion of asymmetrical Hydrogen Bond (O: HO) Cooperativity and Polarizability (HBCP)
has enabled exploration of the core physics behind irregularities of water and ice …

In this review, the application of a wide variety of external electric fields in molecular
simulation shall be discussed, including time-varying and electromagnetic, as well as the …

A cluster is an aggregate of bound atoms or molecules, intermediate in size between a
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …

Accurate description of the excess charge in water cluster anions is challenging for standard
semi-local and (global) hybrid density functional approximations (DFAs). Using the recent …

The interactions between the reactants and catalysts surfaces play a significant role in
heterogeneous catalysis, thus to tune the interfacial properties between them has emerged …

The floating water bridge phenomenon is a freestanding rope-shaped connection of pure
liquid water, formed under the influence of a high potential difference (approximately 15 kV) …

The behavior of water droplets located on graphene in the presence of various external
electric fields (E-fields) is investigated using classical molecular dynamics (MD) simulations …

This paper postulates that water structure is altered by biomolecules as well as by disease-
enabling entities such as certain solvated ions, and in turn water dynamics and structure …

We investigated the field evaporation process of frozen water in atom probe tomography
(APT) by density functional simulations. In previous experiments, a strong tailing effect was …

Deep engineering of liquid water by charge and impurity injection, charged support, current
flow, hydrophobic confinement, or applying a directional field has becoming increasingly …