Atomistic simulations for condensed matter physics: 
Structural, dynamical, electronic and thermodynamic properties of liquids and solids.
Softwares: CP2K, Quantum Espresso, VASP,  GROMACS, PLUMED

Applications:
- Perovskites solar cells
  Surface stabilization, crystallization and optimization of  the organic  Pb and Sn based perovskites solar cells

- Solid-liquid interfaces
  Characterization of oxide-water interfaces for catalysis and bio-adsorption
  Characterization of liquids in confined geometries
  Protocol designing of experimental and  computational techniques for probing the water interface at ambient conditions
  Organic-oxides adsorption free energies
 
- Metamaterials based on mesophases of simple liquids
  Generation and characterization of Mesophases from simulation of simple liquids with spherical interactions