Dr. Bouthéïna Kerkeni is a faculty member at ESILV - De Vinci Higher Education (DVHE), working within the De Vinci Research Center (DVRC) in the MISTIC research axis. She is also a Full Professor at the University of La Manouba (Tunisia) and is Habilitated to Supervise Research (HDR). Her research lies at the intersection of quantum modelling, advanced materials, and multiscale simulation, with current projects focusing on: - DFT-based modelling (VASP, QE, Gaussian) of materials for greenhouse-gas adsorption and energy applications, - computational reaction mechanisms and molecular dynamics for industrial catalysis and chemical processes, - micro-to-macro multiscale modelling, linking quantum chemistry, collision theory, and kinetic/PDE-based diffusion (DVRC transversal project), - functional nanomaterials for environmental and energy-technologies. She contributes actively to the development of DVRC's research activities in computational materials science and co-supervises several interdisciplinary research and innovation projects.
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