Computational theory in Condensed Matter Physics (COMPHYS )


Department (s)
Departamento de Física (FCT); Departamento de Polímeros y Materiales Avanzados: Física, Química y Tecnología (F. Química, Donostia); Centro de Física de Materiales (CSIC/UPV).

Knowledge area
Condensed Matter Physics

PI: Asier Eiguren Co-PI: 


Idoia Garcia de Gurtubay Galligo; Maria Blanco Rey; Asier Eiguren Goyenechea; Julen Ibañez Azpiroz; Peio Garcia Goiricelaya; Haritz Garai Marín; Aitor Calvo


Electronic structure; First principles calculations; Development and applications of calculation methods; Electron-phonon interaction and Superconductivity; Electronic transport; New Materials; Magnetocrystalline anisotropy


Our group develops new computational tools of interest for many-body problems in Solid State Physics. We focus on the theoretical study of low-energy electron excitations (electron-phonon interaction, superconductivity, impurities, etc.) and their influence on properties such as transport of charge and spin. We have ten-year experience in the development of tools based on Wannier functions for the efficient calculation of electron-phonon matrix elements.

An outstanding recent contribution of our group is a new theoretical framework based on Fermi Surface Harmonics (FSH). This revolutionary methodology has the potential to reduce by several orders of magnitude the computational demand of various problems in Condensed Matter Physics. We are currently making the FSH technique known in the community by its application to a number of problems: spin and charge transport on surfaces as well as in the bulk, electron-state renormalization and electron-phonon theory, superconductivity, magnetic impurities and scattering problems, magnetic anisotropy, non-perturbative methods, etc.

Research lines

In particular, we are working on these research lines:

  1. Fermi Surface Harmonics (FSH) applied to Solid State Physics problems.
  2. Magnetic anisotropy and magnetic ordering.
  3. Applications of non-pertubative methods: Renormalization Group, Quantum Monte Carlo, and exact diagonalization.
  4. Electronic response in the relativistic regime and spin plasmons.
  5. Green functions theory applied to many-body problems: electron-phonon interaction at the surface and bulk of materials.
  6. The problem of charge and spin transport at the surface and bulk of materials.
  7. Quasi-particles, renormalization and self-consistent theory for electron excitations.
  8. Magnetic impurities and scattering problems: T-matrix formalism and multiple scattering.
  9. First-principles calculations: electronic and magnetic properties of surfaces and adsorbates.


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