Computational Codes :
- GPAW (Grid based Projector-Augmented Wave)
- ASE (Atomic Simulation Environment)--Python Scripting
- VASP (Vienna ab-initio Simulation Package)
- Phonopy
- Quantum Espresso
- PARSEC (Pseudo-potential Algorithm for Real Space Electronic Calculations)
- CPMD (Car Parrinello Molecular Dynamics)
- Visualization software like MOLDEN, VMD, XCRYSDEN, Jmol, PyMol, AtomEye, ATEN
Computational Skills :
- Python scripting (Object Oriented Programming)
- Fortran 77, 90/95 and C
- Parallel Computing (MPI and Open MP)
- Grid Computing (Sun Grid Engine)
- PDE solver: Finite Difference Method (FDM) & Finite Element Method (FEM)
- Multigrid Formalism