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

  • KE_MM_arXiv_2412.00951.zip: Dataset for quantum-accelerated simulations of corrosion inhibition on aluminum surfaces. Contains quantum chemistry calculations, visualization data, and analysis for triazole-based inhibitors. Includes python scripts, molecular structures (xyz), quantum calculation results (json), and visualization files (png/svg). Associated with arXiv:2412.00951.
  • README.md: Detailed readme documentation of directory structure, file formats, and technical specifications for quantum-accelerated corrosion inhibition simulations, including calculation parameters and workflow descriptions.