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

  • TRAJ.ConstantFermiEnergy_Run.tar.bz2: XYZ trajectory of the Pt(111)/water interface during the constant Fermi energy molecular dynamics.
  • adsorbed_species_on_Pt111_xyzfiles.tar.bz2: XYZ structures of the adsorbed species on the bare Pt(111) surface used in the free energy calculations.
  • movie.avi: movie of the OER reaction occurring during the constant Fermi energy molecular dynamics
  • README: README file