2026. Review, Recent advances in the application of Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to elucidate metal corrosion mechanisms: Recent advances in the application of Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to elucidate metal corrosion mechanisms. Journal of Nanomaterials and Applications (JNA). 2, 1 (Jan. 2026), 16–35. DOI:https://doi.org/10.65273/hhit.jna.2026.2.1.024.