I. Research Fields

MEHRAN VAEZI, male, is currently a postdoctoral researcher at Sun Yat-sen University. He focuses on the atomistic simulation of nanoscale systems, and through advanced molecular dynamics techniques, has successfully investigated the dynamics, collective behavior, and controlled transport of molecular machines and nanomaterials on various surfaces. His research results have been published in several authoritative academic journals, including The Journal of Chemical Physics, Langmuir, Scientific Reports, Physical Chemistry Chemical Physics and Computational Materials Science.

II. Research Areas

  • Molecular dynamics simulation of nanoscale systems 
  • Controlled motion and transport on 2D material surfaces
  • Collective dynamics and self-assembly of nanoparticle clusters
  • Atomistic modeling of adsorption processes and ion-exchange in porous materials

III. Work Experience

2025–Present, Sun Yat-sen University, Postdoctoral Researcher

IV. Educational Background

2018–2023, Sharif University of Technology, Nanoscience and Nanotechnology, PhD

2016–2018, Sharif University of Technology, Physics, Master's

2011–2016, Sharif University of Technology, Physics, Bachelor's


V. Publications

  1. M. Vaezi, M. Noormohammadbeigi, G. Cruciani, M. Zendehdel, Ion-exchange of copper into mordenite and clinoptilolite zeolites by molecular dynamics simulations and experimental investigations, Microporous and Mesoporous Materials, 382 (2025) 113397.
  2. M. Vaezi, H. Nejat Pishkenari, A. Nemati, Mechanism of C60 rotation and translation on hexagonal boron-nitride monolayer, The Journal of Chemical Physics, 153 (2020) 234704.
  3. S. Eskandari, J. Koltai, I. László, M. Vaezi, J. Kürti, Formation of nanoribbons by carbon atoms confined in a single-walled carbon nanotube—A molecular dynamics study, The Journal of Chemical Physics, 158 (2023) 224702.
  4. M. Vaezi, H. Nejat Pishkenari, M.R. Ejtehadi, Programmable transport of C60 by straining graphene substrate, Langmuir, 39 (2023) 4483-4494.
  5. M. Vaezi, H.N. Pishkenari, M.R. Ejtehadi, Collective movement and thermal stability of fullerene clusters on the graphene layer, Physical Chemistry Chemical Physics, 24 (2022) 11770-11781.
  6. M. Vaezi, H.N. Pishkenari, M.R. Ejtehadi, Nanocar swarm movement on graphene surfaces, Physical Chemistry Chemical Physics, 24 (2022) 27759-27771.
  7. A. Jokar, S. Nejabat, M. Pirouzfar, H.K. Jahromi, M. Vaezi, F.B. Zanchi, ... In silico development of RNA aptamer candidates against thyroid receptor, Journal of Computer-Aided Molecular Design, 39 (2025) 111-126.
  8. M. Youzi, M. Kianezhad, M. Vaezi, H.N. Pishkenari, Motion of nanovehicles on pristine and vacancy-defected silicene: implications for controlled surface motion, Physical Chemistry Chemical Physics, 25 (2023) 28895-28910.
  9. M. Vaezi, H.N. Pishkenari, A. Nemati, Mechanism of the motion of nanovehicles on hexagonal boron-nitride: A molecular dynamics study, Computational Materials Science, 207 (2022) 111317.
  10. M. Kianezhad, M. Youzi, M. Vaezi, H.N. Pishkenari, Rectilinear motion of carbon nanotube on gold surface, International Journal of Mechanical Sciences, 217 (2022) 107026.
  11. M. Vaezi, Programmable oscillation of C60 inside carbon nanotubes subjected to strain gradient, Journal of Applied Physics, 134 (2023) 234301.
  12. M. Vaezi, H. Nejat Pishkenari, Self-propelled directed transport of C60 fullerene on the surface of the cone-shaped carbon nanotubes, Scientific Reports, 14 (2024) 21630.
  13. M. Vaezi, H. Nejat Pishkenari, Toward steering the motion of surface rolling molecular machines by straining graphene substrate, Scientific Reports, 13 (2023) 20816.
  14. M. Kianezhad, M. Youzi, M. Vaezi, H. Nejat Pishkenari, Unidirectional motion of C60-based nanovehicles using hybrid substrates with temperature gradient, Scientific Reports, 13 (2023) 1100.
  15. M. Vaezi, Discrete Random Walk of C60 on Quasi-Tetragonal Fullerene Monolayers, Micro and Nanostructures, (2025) 208401.
  16. M. Vaezi, H. Nejat Pishkenari, M.R. Ejtehadi, Nanocars assembly on a surface: coarse-grained molecular dynamics study, Sharif Journal of Mechanical Engineering, 40 (2024) 39-46.