Some organic pollutants in snowpack undergo faster photodegradation than in so-
lution. A possible reason is a shift of their UV-visible absorption to lower energy when the molecules are adsorbed at the air-ice interface. Due to the challenges involved in investigating such shift experimentally, we developed a multiscale/multimodel approach that combines classical and first-
principles molecular dynamics, quantum chemical methods and statistical learning to
compute the light absorption spectra of two phenolic molecules in the different solvation environments.

Absorption Spectra of Aromatic Organic Molecules on the Air-ice Interface

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