• Article: “Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons”, is now on arXiv [link]
  • Article: “Mechanical properties of amorphous silicon nanoparticles”, full conference paper available in the TMS 2019 proceedings [link]
  • Preprint and article available: “Vibrational properties of sodosilicate glasses from first-principles calculations”, is now on arXiv [link] and Phys. Rev. B [link].
  • Article: “Ductile deformation of core-shell Si-SiC nanoparticles controlled by shell thickness”, just published in Acta Materialia [link]
  • September 1st: New post at CIRIMAT Toulouse, working with C. Merlet on NMR spectroscopy of disordered carbons.
  • Article: “Uniaxial compression of silicon nanoparticles: An atomistic study on the shape and size effects”, in Acta Materialia [link]


Research interests:

  • Modelling of disordered materials
  • Mechanical properties
  • Theoretical spectroscopies
  • Irradiation effects
  • Optimization methods


UniversitĂ© Toulouse 3 – Paul Sabatier
Bâtiment CIRIMAT
118 Route de Narbonne
31062 Toulouse cedex 9 – FRANCE

kilymis at

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