Events and conferences

Gold nano network             

I am happy to announce that the CNRS has accepted to support our GDR or-nano for the next five years !!! Please follow us on :


Recent/next events:



The GECat

TheGECat is a thematic group of the DivCat (Catalyst Division of the Chemical Society of France). It organizes annual thematic meetings with the aim of uniting the French-speaking catalysts community, promoting exchanges between researchers, and encouraging the integration of young researchers.


Recent/next events:







NanOperando network


The GDR NanOperando was supported by the CNRS from 2018 until 2022. 

See the website in the following link: GDR NanOperando



Recent/next events:


  • Next September (12-15/09/2022), the GDR Nanoperando organize the thematic workshop "Microscopies et Synchrotron "in situ". Theoretical courses on DFT calculations and Monte Carlo simulations of structural dynamics of metallic nanoparticles will be given by H. Guesmi and H. Amara

 Our participation in national and international congresses and meetings


* Faraday Discussion (21-23 September 2022) London. Reversed segregation in Au-Cu nanoparticles upon atmospheric pressure hydrogen exposure: how is CFC symmetry maintained?“ (Oral presentation - invited contribution).


* International conference -Non-Equilibrium and Environmental effects on Nanoalloys (15-17 December 2022) Paris. Modeling the effect of reactive gas on alloy catalysts: from single-atoms to nanoparticles“ (Invited talk).


* 6th International Conference on Catalysis and Chemical Engineering  (22-24 February 2022) San Francisco, “First Atomic Scale Evidence of Size-Dependent Structural Transition of Hydrogenated Gold NPs: Toward a Realistic Picture of Reactive Surface (Invited talk).


* French Conference on Catalysis (June 2022), Ronce-Les-Bains. “First Atomic Scale Evidence of Size-Dependent Structural Transition of Hydrogenated Gold NPs: Toward a Realistic Picture of Reactive Surface” (Oral presentation).


* French Conference on Catalysis (June 2022), Ronce-Les-Bains. “Predicting the Stability of Single-Atom Alloy Catalysts Under Hydrogen Reactive Media” (Poster presentation).


* 11ème Conférence or-nano (9-11 march 2022), Lyon. “Size-Dependent Structural Transition of Hydrogenated Gold Nanoparticles: Toward a realistic picture of reactive surface” (Oral presentation given by Q. WANG (Ph.D. student)).



*Cluster Meeting 2021 (18-23 Juillet 2021) Prague, "Modeling the effect of reactive gas on alloy catalysts from single-atom sites to nanoparticles of thousands of atoms (Keynote).




* French Conference on Catalysis (June 2019) Frejus. "Reshaping dynamics of gold nanoparticles under H2 and O2 at atmospheric pressure"(Oral presentation)


* 1ères Rencontres Prospectives du Réseau Français de Chimie Théorique  (11-13 juin 2019) Nante. “Modélisation multi-échelle en catalyse hétérogène : état de l'art et verrous.”(Invited talk)


* 7ème CFWTC: Chinese-French Workshop in Theoretical Chemistry (13-17 Mai 2019) Toulouse. “Reshaping dynamics and atomic ordering changes in metallic and alloy nanoparticles under reactive gas: theoretical multiscale methods.” (Invited talk)




* 1er Colloque du GDR NanOperando (November, 2018) Lyon, "Theoretical Description of Au-Pd and Au-Cu Nanoalloys Under Reactive Media". (Oral presentation)


* Sixth European Conference on Crystal Growth (September, 2018) Bulgaria, "Characterization of Pt(Cu)TiO2 nano-catalyst for methanol oxidation". (Oral presentation given by N. Dimitrova (Ph.D. student, visitor)



* International conference Gold2018 (Juilly 2018) Paris, "Theoretical Description of Nanocatalysts Under Reactive Media".(Oral presentation)



* SCF18 (Juillet 2018) Montpellier, "Toward an Accurate Theoretical Description of Gold-based Nanocatalysts Under Reactive Media".(Oral presentation)


* International meeting on Nanoalloys (May 2018 )Orleans, "Multiscale Structure Reconstruction (MSR) Model for Predicting the Shape Evolution of Metallic Nanoparticles under Reaction Conditions: from Monometallic to Nanoalloy(Oral presentation given by J. Meng, Ph.D. student) 




* Journée Méditerranéenne des Jeunes Chimistes, (October 2017) Montpellier. "Chemical order and reactivity of AuPd(100) alloy surface: from vacuum to reaction conditions" (Oral presentation given by M. Oguz(Ph.D student))


* International Conference on Small Science (May 2017) San Sebastian. “Modeling of bimetallic nanoparticles for heterogeneous catalysis: the effect of reactive gas.” (Invited talk)


* International Conference on Nanomaterials and Applications (April 2017) Hammamet. “Density Functional Theory modeling of bimetallic nanoparticles: a focus on the effect of reactive media.(Keynote)




* 15èmes  Journées de la Matières Condensée (aout 2016) Bordeaux. Density Functional Theory study of Au-Cu alloy surfaces in presence of adsorbed gas: CO, NO and O2“ (Oral presentation given by M. Dhifallah (Ph.D student) how obtained the Youth Fellowship of the SFP-Aquitaine for her participation to the JMC15)


* Frensh Conference on Catalysis (May 2016) Frejus. Promoting effect of metal dopants in palladium nanoparticles on the selective hydrogenation of acetylene: a DFT study" (Oral presentation given by O. Gantassi, (Ph.D. student))


* Ecole thématique Or-Nano: De l'electron à la cellule (Juin 2016) Cap d'Agde. Modélisation des nanoparticules de Palladium : Effet de la taille et du support" (Poster presented by O. Gantassi, (Ph.D. student))


* Ecole thématique Or-Nano: De l'electron à la cellule (Juin 2016) Cap d'Agde. Etude DFT des surfaces d’alliages Au-Cu : effet de l’adsorption de petites molécules de gaz CO, NO et O2" (Poster presented by M. Dhifallah, (Ph.D. student))





* Journée Grand Sud Ouest (GSO). “Density Functional Study of Pd13 Magnetic Isomers in Gas-Phase and on (100)-TiO2 Anatase" (Poster presented by O. Gantassi (Ph.D. student))


* Journée Grand Sud Ouest (GSO). “Theoretical investigation of adsorption-induced segregation in gold-copper alloy surfaces" (Poster presented by M. Dhifallah (Ph.D. student))


* 7th International Gold Conference (July 2015) Cardiff, United Kingdom. “ CO adsorption-induced Surface segregation and formation of Pd chains on AuPd(100) alloy: DFT-based Ising model and Monte Carlo Simulations (Poster presentation)


* Réunion finale du GDR nanoalliages et hybrides à base de métaux (mai 2015) Porquerolles, France. “Finite Size Effect in Chemical Bonding of diluted Pd in gold nanoparticles” (Poster presentation)


* Ecole thématique « Modélisation des matériaux » (juillet 2015) Istres, France. 


* Journées Surfaces et Interfaces - (Janvier 2015) Toulouse France. “Modélisation de la ségrégation induite par l'adsorption de gaz: Cas de l'alliage Au(Pd) en présence de CO” (Invited talk)




* International Conference and Exhibition - Smart Materials & Surfaces - (August 2014) Bangkok, Thailand. “DFT-based Ising model for the simulation of Au-Pd structure under reaction conditions” (Oral presentation)


* 1ère demi-journée "SCF d’Avenir" (juillet 2014) Institut Charles Gerhardt, Montpellier. “Combler le gap de structure et de pression en catalyse hétérogène” (Oral presentation)


* Tailor 2014 workshop (April 2014) Saint-paul de Vence, Nice. “DFT-based Ising model for the simulation of Au-Pd structure under reaction conditions” (Poster presentation)


* MP0903 - COST action final conference (April 2014) Santa Margherita Ligure, Italy. “DFT-based Ising model for the simulation of Au-Pd alloy structure under reaction conditions” (Poster presentation)


* 3èmes journées annuelles de l’Association française de l’adsorption - AFA (Février 2014) Paris. “Surface structure of Au-Pd nanoparticles under reaction conditions” (Oral presentation)