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

• abs_ML.zip: Molecular geometries sampled from AIMD for three DMB isomers in solution and at air-ice interface.
• classical_MD.zip: Production: LAMMPS files used for production runs on the ice surface for 2-DMB, 3-DMB and 4-DMB
• FPMD.zip: CP2K input: CP2K input files used for First-principles MD simulations in solution and on the ice surface for 2-DMB, 3-DMB and 4-DMB.