Irina Lebedeva

Irina Lebedeva
Post Doctoral Researcher

Background

I am working on implementation of linear-scaling algorithms in the electronic structure code SIESTA (https://departments.icmab.es/leem/siesta) and adaptation of SIESTA for modern computer architectures. This work is performed within the large European coordinated project MaX.

Research interests:

  • Modeling of transformations of carbon nanostructures under electron irradiation or heating including catalytic effects
  • Defects in carbon nanostructures and their effect on electronic, optical and tribological properties
  • Optical, magneto-optical and optical magnetoelectric response of novel materials from first principles: multiferroics, perovskites, topological insulators, two-dimensional nanostructures, etc.
  • Linear-scaling algorithms for density functional theory