Abdesslem Jedidi, Ph.D.

Postdoctoral Fellows


Research Interests

Dr. Jedidi's work focuses on the theoretical study of the reactivity of surfaces and nanoparticles related to emblematic reactions in heterogeneous catalysis as Fischer-Tropsch (FTS) or Dry Reforming of Methane (DRM). He is using DFT calculations to model his systems with quantum codes (VASP, GAUSSIAN and ADF). Dr. Jedidi's previous studies were applied in the Photo-catalysis of TiO2 surfaces and the modeling of the first step of Fischer-Tropsch reaction on a size range of iron catalysts (Fen). His recent investigations are devoted to the modeling of new catalysts as PtP2 for DRM and the conversion of methane on Pdn@CeO2 core-shell nanoparticles.

Selected Publications

  • CO dissociation on magnetic Fen clusters
    A. Jedidi, A. Markovits, C. Minot, M. Abderrabba and M. Van Hove
    Physical Chemistry Chemical Physics, 16, 20703-20713, (2014)
  • Exploring CO dissociation on Fe nanoparticles by DFT-based methods: Fe13 as a case study
    A. Jedidi, W. Norelus, A. Markovits, C. Minot, F. Illas and M. Abderrabba
    Theoretical Chemistry Accounts, 133, 1430, (2014)
  • Core restructuring for magnetic Fe55 icosahedral nanoparticle
    A. Jedidi, A. Markovits, C. Minot and M. Abderrabba
    Chemical Physics Letter, 541, 101-104, (2012)
  • Modeling Localized Photo-induced Electrons in Rutile TiO2 Using Periodic DFT+U Methodology
    A. Jedidi, A. Markovits, C. Minot, S. Bouzriba and M. Abderrabba
    Langmuir, 26(21), 16232-16238, (2010)


  • Ph.D., Theoretical Chemistry, LCT/UPMC, Paris, France, 2013
  • M.Sc., Theoretical Chemistry, TCCM, Porto, Potugal, 2010
  • M.Sc., Chemical process and environment, INPT, Toulouse, France, 2008
  • Engineer in Chemical process, ENIG, Gabes, Tunisia, 2007

Professional Profile

  • 2013-2014: Postdoctoral fellow in Theoretical chemistry, KAUST, Thuwal, Saudi Arabia

KAUST Affiliations

KAUST Catalysis Center (KCC)
Division of Physical Sciences and Engineering (PSE)

Research Interests Keywords

Surface chemistry Catalysis Density functional theory