Main Interests 🧪
Magnetic behavior of mono and polynuclear systems, f-complexes, and mixed (d/5f) and their applications in the development of new functional materials such as Singular Molecular Magnets (SMM).Reactivity and redox properties of uranium (III/IV/V) pair species, correlation between the experimental redox potential E1/2(V) and computed electron affinity EA(ev).Speciation and differentiation of lanthanide(III)/actinides(III) and radioactive waste reprocessing.Bioactivity and structure/activity relationship QSAR, Docking, Molecular Dynamics Simulations, and ADMET properties of organic molecules.
Professional Education Experience 📚
Computing tools: DFT, TDDFT, Amsterdam Density Functional program (ADF), Gaussian, and ORCA codes.2010-2018: Head of Master training and Doctorate degrees in Theoretical and Computational Chemistry – UFMC.2017: Invited Professor by Erasmus Mundus « Battuta » scholarship for academic staff, April 2017, Porto – Portugal
Head of Research Projects (CNEPRU-PNR-PRFU and CNRS) 🔬
2007-2013: Research Project Manager and Associate: « Approches computationnelles en méthode DFT relativiste à l’étude de composés organométalliques d’actinides et de lanthanides. » and « Etude théorique de l’activité biologique des métabolites secondaires des végétaux : simulation par docking moléculaire sur différentes cibles enzymatiques. »2011-2013: National Research Project Manager PNR « Modélisation théorique de la structure électronique et des propriétés physicochimiques de complexes fonctionnalisés de lanthanides et d’actinides. Apport de la méthode DFT/ZORA relativiste.
Citations by: All – 671, Since 2019 – 266
h-index: All – 15, Since 2018 – 9
i10 index: All – 20, Since 2018 –9