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

Superconductivity in the Doped Polymerized Fullerite Clathrate from First Principles

Jorge Laranjeira, Ion Errea, Đorđe Dangić, Leonel Marques, Manuel Melle-Franco and Karol Strutyński
Phys. Status Solidi RRL 2300249 (2023)

Ab initio study of the structural, vibrational, and optical properties of potential parent structures of nitrogen-doped lutetium hydride

Đorđe Dangić, Peio Garcia-Goiricelaya, Yue-Wen Fang, Julen Ibañez-Azpiroz and Ion Errea
Physical Review B 108, 064517 (2023)

Excitonic insulator to superconductor phase transition in ultra-compressed helium

Cong Liu, Ion Errea, Chi Ding, Chris J. Pickard, Lewis J. Conway, Bartomeu Monserrat, Yue-Wen Fang, Qing Lu, Jian Sun, Jordi Boronat and Claudio Cazorla
Nature Communications 14, 4458 (2023)