We use first-principles quantum mechanical methods to understand and predict the properties of materials.

Our group is affiliated to the Department of Applied Physics and Materials Physics Center of the University of the Basque Country (UPV/EHU).

In order to overcome the limitations imposed by standard approximations, we develop new theoretical methods that give us the possibility of approaching problems in physics from a novel and advanced perspective. We apply our methods to characterize and predict hydrogen-based high-temperature superconductors, to study charge-density wave and ferroelectric phase transitions, and understand the interaction of light with lattice vibrations.

We study these research lines

Vibrational properties are crucial to describe the structural, thermodynamic, and transport properties of materials. The standard harmonic approximation assumes that ions in solids are placed at […]

Controlling light down to the nanoscale is a huge challenge, especially because the wavelength of exceeds by orders of magnitude the interatomic distances. Phonon polaritons, the […]

Latest publications

Evidence for ground state coherence in a two-dimensional Kondo lattice

Wen Wan, Rishav Harsh, Antonella Meninno, Paul Dreher, Sandra Sajan, Haojie Guo, Ion Errea, Fernando de Juan and Miguel M. Ugeda
Nature Communications 14, 7005 (2023)

Superconductivity in the Doped Polymerized Fullerite Clathrate from First Principles

Jorge Laranjeira, Ion Errea, Đorđe Dangić, Leonel Marques, Manuel Melle-Franco and Karol Strutyński
Phys. Status Solidi RRL 2300249 (2023)

Ab initio study of the structural, vibrational, and optical properties of potential parent structures of nitrogen-doped lutetium hydride

Đorđe Dangić, Peio Garcia-Goiricelaya, Yue-Wen Fang, Julen Ibañez-Azpiroz and Ion Errea
Physical Review B 108, 064517 (2023)