Supplemental data for "Temperature induced metallicity of the Si(001) surface: insights from molecular dynamics simulations with machine learned interatomic potentials"

This repository includes supplementary data for the publication S. Joshi, J. Janisch, D. Le, and T.S. Rahman, "Temperature induced metallicity of the Si(001) surface: insights from molecular dynamics simulations with machine learned interatomic potentials", Journal of Chemical Physics (2025); DOI: 10.1063/5.0291158 Dataset for training interatomic potential for the Si(001) surface. Trained MACE models used for simulations Data for plotting all figures shown in the puplication.