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

Phonon collapse and anharmonic melting of the 3D charge-density wave in kagome metals

Martin Gutierrez-Amigo, Đorđe Dangić, Chunyu Guo, Claudia Felser, Philip J. W. Moll, Maia G. Vergniory and Ion Errea
Communications Materials 5, 234 (2024)

Lattice effects and phase transitions in topological materials

Martin Gutierrez-Amigo
PhD thesis (2024)

Unveiling the Mechanism of Phonon-Polariton Damping in α-MoO3

Javier Taboada-Gutiérrez, Yixi Zhou, Ana I. F. Tresguerres-Mata, Christian Lanza, Abel Martínez-Suárez, Gonzalo Álvarez-Pérez, Jiahua Duan, José Ignacio Martín, María Vélez, Iván Prieto, Adrien Bercher, Jérémie Teyssier, Ion Errea, Alexey Y. Nikitin, Javier Martín-Sánchez, Alexey B. Kuzmenko and Pablo Alonso-González
ACS Photonics 10.1021/acsphotonics.4c00485 (2024)