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

Three-dimensional Fermi surfaces from charge order in layered CsV3Sb5

Xiangwei Huang, Chunyu Guo, Carsten Putzke, Martin Gutierrez-Amigo, Yan Sun, Maia G. Vergniory, Ion Errea, Dong Chen, Claudia Felser and Philip J. W. Moll
Physical Review B 106, 064510 (2022)

Transport and optical properties of the chiral semiconductor Ag3AuSe2

Juyeon Won, Soyeun Kim, Martin Gutierrez-Amigo, Simon Bettler, Bumjoo Lee, Jaeseok Son, Tae Won Noh, Ion Errea, Maia G. Vergniory, Peter Abbamonte, Fahad Mahmood and Daniel P. Shoemaker
ZAAC e202200055 (2022)

Superconducting hydrides on a quantum landscape

Ion Errea
Journal of Physics: Condensed Matter 34, 231501 (2022)