I am a CNRS researcher at the Institut de Recherche sur les Céramiques (IRCER) in Limoges, where I work on computational materials science with an emphasis on atomistic modeling and data-driven approaches for functional and energy-related materials.
My research lies at the interface of condensed matter physics, materials chemistry, and scientific computing. I use density functional theory, molecular dynamics, machine learning, and advanced computational workflows to investigate structural, electronic, vibrational, and dynamical properties across a broad range of systems.
Over the years, my work has addressed questions related to glasses, glass-ceramics, oxides, chalcogenides, nanoparticles, electrochemical interfaces, electrocatalysis, cathode materials, and high-entropy ceramics. A major objective of my research is to build predictive frameworks that connect atomic-scale structures to macroscopic functionalities, thereby contributing to the development of next-generation materials.
Glasses, glass-ceramics, oxides, chalcogenides, interfaces, electrochemistry, nanoparticles, catalysis, cathode materials, energy materials, extreme conditions, structural, electronic, optical, dynamical and vibrational properties, machine learning, and atomistic modeling.
Density functional theory, first-principles molecular dynamics, classical and machine-learned interatomic potentials, high-throughput screening, advanced sampling, and scientific programming.