Research

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 […]

Latest publications

Lattice thermal conductivity in the anharmonic overdamped regime

Đorđe Dangić, Giovanni Caldarelli, Raffaello Bianco, Ivana Savić and Ion Errea
Physical Review B 111, 104314 (2025)

Observation of chiral surface state in superconducting NbGe2

Mengyu Yao, Martin Gutierrez-Amigo, Subhajit Roychowdhury, Ion Errea, Alexander Fedorov, Vladimir N. Strocov, Maia G. Vergniory and Claudia Felser
Physical Review Materials 9, 034803 (2025)