This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.txt: Overview of the materials provided
• Nitrate_Repository.zip: This folder contains the input and starting files for the paper 'Solvation Structure and UV-Visible Absorption Spectra of the Nitrate Anion at the Air-Ice Interface by First Principles Molecular Simulations' including files for the AIMD Simulations using PBE-D3 with CP2K, input and output files for the well-tempered metadynamics runs using Plumed, and the input files for the TDDFT calculations using ORCA.