About me :

Ph.D Student in Physical Chemistry
Department of Chemistry, Isfahan University of Technology (IUT)
National High Performance Computing Center


Mahdiyeh Bamdad is Ph.D. student of physical chemistry group at Isfahan University of Technology (IUT), also a member of Sheikh Bahaei National High Performance Computing Center (SBNHPCC) in IUT. Her interest is in discovering the world from the molecular point of view and molecular simulation. Her computer and software Skills is as the following:


  • Familiar with Monte Carlo and Molecular Dynamics Simulation techniques.
  • Experience with Quantum Mechanical calculations.
  • Familiar with parallel computing concept and using supercomputers to run parallel programs.
  • Programming language (shell scripting)
  • Operating systems (Linux and Windows)
  • Software are popular in chemistry researches: LAMMPS, Autodock, DLPOLY, Gromacs, and NAMD (their installation, input file(s) structure, and how to run them), MUSIC, RASPA, DALTON, SAPT, and ORCA codes, as well as GAMESS and GAUSSIAN.


Educations :

Ph.D. in Chemistry (Physical Chemistry) Isfahan University of Thechnology
2012 - Present,
Thesis: Investigation of Gas Separation in Pressure Swing Adsorption (PSA) Process using Molecular Simulation Techniques.
M.S. in Chemistry (Physical Chemistry) K. N. Toosi University of Technology
2004 - 2006,
Thesis: Study of the Interaction of Metal Ions (Zn2+, Fe2+) with Proteins Using Quantum Mechanical Methods
B.S. in Chemistry  Payam Noor University
1998 - 2002,
Topic: Application of Fuzzy Logic in Chemistry

Research Interests :

Molecular dynamics simulation, Monte carlo simulation, computational chemistry, Adsorption on porous media, quantum mechanics calculation