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), [S. l.], v. 2, n. 1, p. 16–35, 2026. DOI: 10.65273/hhit.jna.2026.2.1.024. Disponível em: https://jna.com.vn/index.php/home/article/view/24. Acesso em: 4 feb. 2026.