Early Career Researchers:

  • Qing Wang - Ph.D. (2018-2021)

  • Fengji Xia - Master 1 (2021)
  • Marwa DHIFALLAH - Ph.D. (2015-2017)
  • Ismail Can OGUZ - Ph.D. (2015-2018)
  • Oussama GANTASSI - Ph.D. (2014-2016)
  • Beien ZHU - Post-doc (2011-2014)
  • Matthieu LAUMET - Master 2 (2014)
  • Chemseddine MENAKBI - Master 1 (2013) 




  • Jun Meng - Ph.D. student, Shanghai, China (2018-2019)

  • Nolwenn Mayet - Ph.D. student, IC2MP, Poitiers (2018)



They worked with us ...


Ph. D. student 

(10/2018 - 10/2021)

Currently Qing has a post-doc position at the Ecole Normale Supérieure de Lyon.


 ...." It has been a pleasure working under the supervision of Dr. Hazar Guesmi during my Ph.D. study (2018-2021) in the Charles Gerhardt’s Institute of Montpellier (ICGM). The research project was focused on the multi-scale theoretical modeling of Pt- and Au-based catalysts under reactive gas conditions.

I received my master degree in 2018 at the Université de Rennes 1, and carried out my master 2 Internship under Dr. Arnaud FIHEY and Dr. Boris LE GUENNIC. The project was about the validation of new parameters (Fe, Au and other organic atoms) for ‘Tight-Binding’ DFT method (DFTB).

Then I obtained this precious opportunity to follow my PhD studies under guidance of Hazar. It has been 3 fruitful years with lots of scientific achievement, thanks to her dedication, professional guidance, and support in quotidian life. I learned from her how to develop and apply DFT-based thermodynamic and molecular dynamic models for investigation metallic-gas interfaces, nanoparticles and nanoalloys systems under realistic reaction conditions. We published together many articles, and I was also provided many opportunities to attend to several national & international conferences, workshops, as well as fruitful scientific collaborations (Dr. David Loffreda (Lyon), Dr. Jaysen Nelayah (Paris), Dr. Yaovi Holad (Montpellier)), and lab visiting programs in Belgium (Pr. Frederik Tielens) and in China (Dr. beien Zhu).

I am currently a postdoctoral fellow in the chemistry lab of ENS-Lyon and ILM group at University of Lyon 1, under supervision of Dr. Stephan Steinmann and Dr. Thomas Niehaus. I became involved in development of density functional tight-binding (DFTB) parametrization for the archetypical Pt/H/C/O systems addressing for the biomass conversion at the Pt interface."


Beien ZHU


(04/2012 - 03/2014)

Currently Beien has a permanent position at the Shanghai Institute of Applied physics.


...." Hey I am Beien ZHU from Shanghai China. I am much pleasured to have a chance to work with Mrs. Hazar Guesmi on the project of “Structure, Chemical Order and Reactivity of Gold-Palladium Nano-Particles: from vacuum to reaction conditions”.


I got my PhD in Physics in the Fudan University with the thesis of “Physical properties of Nanostructured materials assembled by Carbon Nanotubes”. After that I started my scientific research life in Europe with Prof. Marc HOU of ULB. From the end of 2010 to the beginning of 2012 I worked in ULB mainly for the study of metallic nanoalloys in carbon environment. It was this working experience and Prof. Marc HOU that introduced me into the European research society of nanoalloys. I attended several European Nanoalloy COST meeting and knew many excellent scientists like Riccardo Ferrando, Roy Johnston, and Christine Mottet ... After I finished the work in Brussels; I came into Hazar's group in Montpellier and spent two wonderful and fruitful years there.


I was familiar with classical MD and MC simulations and thanks to Hazar who told me lots about DFT methods for calculating the adsorption energies, getting the energy path of certain chemical reaction and analysing the electronically properties of nanoalloys using VASP package.


We had many joyful times together and made some very interesting works. I hope we can keep the cooperation in the future."

Ismail Can OGUZ

Ph. D. student 

(10/2015 - 10/2018)

Currently Can has a post-doc position at the Ecole Normale Supérieure de Paris.



"I've been a PhD student under the supervision of Dr. Hazar Guesmi between 2015 and 2018.  It was an honor and a privilege to work with her.  I worked on a project called “Structure, Chemical Order and Reactivity of Au-Pd Nano-Particles: from vacuum to reaction condition”. For this purpose, we developed a cluster expansion method which uses DFT based Ising Model results as inputs to Monte Carlo Simulations. It was a challenging and outstanding project, and I am so proud to be part of this project. Thanks to Hazar, I had a chance to collaborate with Prof. Jérôme Creuze and Beine Zhu. During my PhD, I got the opportunity to participate different workshops and worked on the implementation of Monte Carlo simulation in the University Paris-Sud with the contribution of Prof. Jérôme Creuze.

In parallel to this project, I have also collaborated with Frederik Tielens on another research topic regarding the reactivity trends of a transition metal cluster in terms of NO dissociation.

I’ve made significant progress in my personal and academic life with the dedication and huge effort of Dr. Hazar Guesmi. I cannot express my gratitude enough.


I’ve continued my carrier as a postdoctoral researcher at ICGM and Chimie ParisTech

working on several research topics such as edge magnetism of Fe embedded graphene, theoretical Mossbauer Spectroscopy analysis of single metal catalyst, software development and validation of generalized implicit solvation in CRYSTAL code.

Currently, I am working as a post-doctoral researcher at ENS under the supervisor of Marie-Laure Bocquet. We are working on the role of graphene oxide for the removal of Pharmaceuticals (PhAs) products from aqueous solution."