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.


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

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Latest publications

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 https://doi.org/10.1038/s41567-024-02441-z (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)

Large impact of phonon lineshapes on the superconductivity of solid hydrogen

Đorđe Dangić, Lorenzo Monacelli, Raffaello Bianco, Francesco Mauri and Ion Errea
Communications Physics 7, 150 (2024)