About Me

Hi, there!

My name is Dong Zhai. I am currently a Ph.D. student in Chemical Engineering. My research focuses on using molecular simulation methods to understand a variety of fundamental questions in catalysis and to improve the performance of catalysis materials. My research areas include:

  • Adsorption & diffusion
  • Zeolite
  • Porous materials

Simulation software I use:

  • Molecular dynamics: LAMMPS, Gromacs, DL_POLY, Materials Studio Forcite Module
  • Monte Carlo: Materials Studio Sorption Module, Towhee
  • Density functional theory: Gaussian, DMol3
  • Other tools: VMD, PACKMOL, OpenBabel

Some of my favorite tools:

  • Linux platform:
    • Distro: Archlinux
    • Shell: Z Shell
    • Editor: Vim
    • Web browser: Chrome
    • Data analysis & plot: IPython + Numpy/Scipy + Matplotlib, Gnuplot
    • Typesetting: LaTeX, Markdown, reStructuredText
    • Misc: tmux, git
  • Windows platform:
    • Console: ConEum
    • Editor: Sublime Text 2, Notepad++
    • Web browser: Chrome
    • SSH client: Xshell
    • Data analysis & plot: Enthought Python Distirbution (EPD)