*I work in the area of Computational Condensed Matter and Computational Atomic Physics.
We develop and use computational methods to probe exciting physics of atomic and many-atomic complex systems.*

* Density functional theory based first principles techniques;

* Effective Hamiltonian based atomistic models;

* Molecular dynamics and Monte Carlo simulation methods;

* Genetic algorithm based optimization techniques;

* Relativistic coupled-cluster based methods; etc.

Complex Anti(ferroic) Oxides Bulk and Nanostructures: electronic and band structural properties; static and dynamical properties; dielectric, pyroelectric, piezoelectric and flexoelectric properties; caloric properties, magnetization and magnetic properties; phonons, magnons and electromagnons; etc.

Atoms and Ions: Excitation energies and ionization potentials; hyperfine splitting and constants; electric and magnetic transition amplitudes and moments; atomic parity violations; atomic dipole polarizability, anapole moment; etc.

VASP: Vienna Ab initio Simulation Package for atomic scale materials modelling from first-principles;

WIEN2k: a program package to perform electronic structure calculations of solids using density functional theory;

QUANTUMESPRESSO: a computer code for electronic structure calculations and materials modeling at the nanoscale;

ABINIT: a program package to find total energy and electronic structure of molecules and solids with density functional theory using pseudopotentials and a planewave basis;

FERAM: a molecular dynamics simulator for bulk and thin-film ferroelectrics and relaxors;

ISOTROPY: a collection of softwares which applies group theoretical methods to analyze phase transitions in crystalline solids;

GRASP92: a package based on multi-configuration Dirac-Fock method for large-scale relativistic atomic structure calculations;

In-house molecular dynamics and Monte Carlo simulation codes;

In-house relativistic coupled-cluster theory based codes; etc.