The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

Crossings of electronic potential energy surfaces in nuclear configuration space, known as
conical intersections, determine the rates and outcomes of a large class of photochemical …

Solute–solvent interactions are key for the assembly and proper functioning of
biomacromolecules and play important roles in many fields of organic and polymer …

The solvation structure of protons in aqueous media is highly relevant to electric properties
and to proton transport in liquids and membranes. At ambient temperature, polar liquids …

We demonstrate a thermodynamic formulation to quantify defect formation energetics in an
insulator under a high electric field. As a model system, we analyzed neutral oxygen …

Ions interacting with hydrated RNA play a central role in defining its secondary and tertiary
structure. While spatial arrangements of ions, water molecules, and phosphate groups have …

We study the properties of the interface of water and the surfactant hexaethylene glycol
monododecyl ether (C12E6) with a combination of heterodyne-detected vibrational sum …

Cytosine methylation affects mechanical properties of DNA and potentially alters the
hydration fingerprint for recognition by proteins. The atomistic origin for these effects is not …

The structure and function of biomolecules can be strongly influenced by their hydration
shells. A key challenge is thus to determine the extent to which these shells differ from bulk …

The structure and dynamics of polyanionic biomolecules, like RNA, are decisively
determined by their electric interactions with the water molecules and the counterions in the …