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

Chemical Bonding Induces One-Dimensional Physics in Bulk Crystal BiIr4Se8

Connor J. Pollak, Grigorii Skorupskii, Martin Gutierrez-Amigo, Ratnadwip Singha, Joseph W. Stiles, Franziska Kamm, Florian Pielnhofer, N. P. Ong, Ion Errea, Maia G. Vergniory and Leslie M. Schoop
Journal of the American Chemical Society https://doi.org/10.1021/jacs.3c13535 (2024)

Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds

Antonio Sanna, Tiago F. T. Cerqueira, Yue-Wen Fang, Ion Errea, Alfred Ludwig and Miguel A. L. Marques
npj Computational Materials 10, 44 (2024)

Distinct switching of chiral transport in the kagome metals KV3Sb5 and CsV3Sb5

Chunyu Guo, Maarten R. van Delft, Martin Gutierrez-Amigo, Dong Chen, Carsten Putzke, Glenn Wagner, Mark H. Fischer, Titus Neupert, Ion Errea, Maia G. Vergniory, Steffen Wiedmann, Claudia Felser and Philip J. W. Moll
npj Quantum Materials 9, 20 (2024)