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Computational Codes:

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  • 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:

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  • 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

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