Dear Dr. Mustafa Jassim Alsaray ,

I suggest you to have a look at the following, interesting papers:

- An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals.

Haris, N.I.N.; Sobri, S.; Yusof, Y.A.; Kassim, N.K.

Metals, 11, 46 (2021)

Available at: https://doi.org/10.3390/met11010046

- Density functional theory and molecular dynamics simulation studies of bio-based fatty hydrazide-corrosion inhibitors on Fe (1 1 0) in acidic media

Najihah Mazlan, Khairulazhar Jumbri, Mohd Azlan Kassim, Roswanira Abdul Wahab, Mohd Basyaruddin Abdul Rahman

Journal of Molecular Liquids, 347,118321 (2022)

Available at: https://doi.org/10.1016/j.molliq.2021.118321

-Investigation of the corrosion inhibition potentials of some 2-(4-(substituted)arylidene)-1H-indene-1,3-dione derivatives: density functional theory and molecular dynamics simulation.

Oluwatoba Emmanuel Oyeneyin, Nathanael Damilare Ojo, Nureni Ipinloju, Eric Bamidele Agbaffa & Abiodun Vestor Emmanuel

Beni-Suef Univ J Basic Appl Sci 11, 132 (2022)

Available at: https://doi.org/10.1186/s43088-022-00313-0

Enjoy reading and my best regards, Pierluigi Traverso.

Pierluigi Traverso Thank you for your answer