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

Soft mode origin of charge ordering in superconducting kagome CsV3Sb5

Philippa Helen McGuinness, Fabian Henssler, Manex Alkorta, Mark Joachim Graf von Westarp, A. Korshunov, Alexey Bosak, Daisuke Ishikawa, Alfred Q. R. Baron, Michael Merz, Amir-Abbas Haghighirad, Maia G. Vergniory, Sofia-Michaela Souliou, Rolf Heid, Ion Errea and Mathieu Le Tacon
Nature Communications 17, 4817 (2026)

Symmetry-Broken Ground State and Phonon-Mediated Superconductivity in Kagome CsV3⁢Sb5

Manex Alkorta, Martin Gutierrez-Amigo, Đorđe Dangić, Chunyu Mark Guo, Philip J. W. Moll, Maia G. Vergniory and Ion Errea
Physical Review Letters 136, 206401 (2026)

Emergent Chirality and Enantiomeric Selectivity in Layered NbOX2 Crystals

Martin Gutierrez-Amigo, Claudia Felser, Ion Errea and Maia G. Vergniory
Physical Review Letters 136, 166605 (2026)