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

Ab initio study of metastable occupation of tetrahedral sites in palladium hydrides and its impact on superconductivity

Antonella Meninno and Ion Errea
Physical Review B 107, 024504 (2023)