We develop novel computational methods to understand the properties of solids from their basic ingredients. We apply them to unveil the mysteries hidden in materials and to predict new exciting compounds.

Research

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

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Latest publications

Competing charge and spin instabilities and giant magnetoelastic coupling in CrSb

A. Korshunov, Manex Alkorta, Chan-young Lim, Francesc Ballester, Cong Li, Zhilin Li, D. Chernyshov, Alexey Bosak, Maia G. Vergniory, Ion Errea and S. Blanco-Canosa
Science Advances 12, eaei0921 (2026)

Real-space understanding of electron-phonon coupling in superconducting hydrides

Trinidad Novoa, Francesco Belli, Raffaello Bianco, J. Contreras-García and Ion Errea
Physical Review B 114, 154512 (2026)

Simphony: A full tight-binding package for lattice vibrations and topological phonon analysis

Francesc Ballester, J. L. Mañes, Ion Errea and Maia G. Vergniory
Computer Physics Communications 329, 110373 (2026)