Current research topics
Spectroscopies: photoemission, EELS/IXS, absorption.
Theoretical characterization of the momentum dependence and anisotropy of neutral excitations in 2D systems and 3D layered materials.
Method: Many-body perturbation theory, TDDFT.
Fields of expertise from previous works:
Thermal Transport. Theoretical and numerical development of first principles methods for accurate and parameter-free calculations of thermal properties of 3D and 2D materials.
Method: Density Functional Perturbation theory.
Phase Transitions Under Pressure & Crystal Structure Prediction.
Understanding the microscopic mechanisms of structural transformations in nanomaterials and biomolecules using a range of methodologies, in particular Metadynamics for the free energy sampling.
Method: Classical - tight binding and ab initio Molecular Dynamics.
CNRS researcher at Polytechnique Nantes