Water at low frequencies: Vibrational decomposition reveals spectral fingerprints of surface charge and dynamic surfaces

The low-frequency vibrational dynamics of water (i.e., 0-1000cm-1) encodes rich details about its local environment, hydrogen bonding, and collective motion that are essential to water's various unique properties that are incredibly important for life in a manner that is easily comparable between experiments and simulations. This study uses molecular dynamics to perform a comprehensive mode-resolved analysis of the low-frequency spectrum of water, decomposing it into individual translational and