Our activity concerns the theoretical understanding of the physical and chemical properties of materials. A fingerprint of our work is the development of new theoretical and computational approaches from first principles. Topics of choice are light-matter interaction, the electron-phonon coupling, anharmonicity and superconductivity. We focus on 2D and quantum materials, systems close to instabilities (structural, charge density waves, magnetic and superconducting) and materials for energy conversion and harvesting.
Light-Induced Polaronic Crystals in Single-Layer Transition Metal Dichalcogenides,
Accepted on Nano Letters DOI:/10.1021/acs.nanolett.4c03065
First-Order Rhombohedral-to-Cubic Phase Transition in Photoexcited GeTe,
Ultrafast creation of a light-induced semimetallic state in strongly excited 1T-TiSe2,
Optical Absorption and Photoluminescence of Single-Layer Boron Nitride from a First-Principles Cumulant Approach
Nano Lett. 24, 20, 6017 (2024).
Infrared Resonance Raman of Bilayer Graphene: Signatures of Massive Fermions and Band Structure on the 2D Peak,
Nano Lett. 24, 6, 1867–1873 (2024)
