Skills

DFT Codes: DMol3, Gaussian, SIESTA, and TURBOMOLE

Molecular Dynamics: DMD, NAMD, GROMACS, and LAMMPS

Molecular docking: Molegro Virtual Docker (MVD)

Visualization packages: Materials Studio, GaussView, VMD, PyMol, SPDB, Chimera, TMolex, Origin, and Chemcraft.

Programming and software: General mastery of programming skills with proficiency in Fortran90, Origin9.0, Vesta, gOpenMol, GNUplot, xmGrace, and Linux