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Irina Lebedeva

Irina Lebedeva

Irina Lebedeva
 
Theory
Guest Researcher
Barcelona Guest Researcher
 
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
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