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

Non-trivial quantum geometry and the strength of electron–phonon coupling

Jiabin Yu, Christopher J. Ciccarino, Raffaello Bianco, Ion Errea, Prineha Narang and B. Andrei Bernevig
Nature Physics (2024)

Bending rigidity, sound propagation and ripples in flat graphene

Unai Aseginolaza, Josu Diego, Tommaso Cea, Raffaello Bianco, Lorenzo Monacelli, Francesco Libbi, Matteo Calandra, Aitor Bergara, Francesco Mauri and Ion Errea
Nature Physics (2024)

Purely anharmonic charge density wave in the two-dimensional Dirac semimetal SnP

Martin Gutierrez-Amigo, Fang Yuan, Davide Campi, Leslie M. Schoop, Maia G. Vergniory and Ion Errea
Phys. Rev. B 109, 174112 (2024)