18 citations · 18 across the 7 of their papers we have counts for
3 papers · 1 filter
Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: a First Principles Machine Learning Study
Margaret L. Berrens, Marcos F. Calegari Andrade, John T. Fourkas +2
Understanding the molecular-level structure and dynamics of ice surfaces is crucial for deciphering several chemical, physical, and atmospheric processes. Vibrational sum-frequency…
Nuclear Quantum Effects on the Electronic Structure of Water and Ice
Margaret Berrens, Arpan Kundu, Marcos F. Calegari Andrade +3
The electronic properties and optical response of ice and water are intricately shaped by their molecular structure, including the quantum mechanical nature of hydrogen atoms. In s…
Effect of Sodium Chloride Adsorption on the Surface Premelting of Ice
Margaret L. Berrens, Fernanda C. Bononi, Davide Donadio
We characterise the structural properties of the quasi-liquid layer (QLL) at two low-index ice surfaces in the presence of sodium chloride (NaCl) ions by molecular dynamic…