RESEARCH PROFILE

updated 19/02/2026

• Research interests

  • Gas/Surface interactions
  • Photo-induced reactions
  • Heterogeneous catalysis
  • Electrocatalysis
  • Condensed matter
  • Nanoparticles

• Methods

  • Density Functional Theory
  • Density Functional Tight Binding
  • Machine Learning Interatomic Potential
  • ab-initio Molecular Dynamics and non-adiabatic AIMD
  • Minimum Energy Path research for reactivity

• 7 published papers (5 as first author), 1 submitted and 4 in preparation

• 2 Funding obtained

• 12 oral presentations at workshops/conferences and 6 invited seminars

• 6 poster presentations at workshops/conferences

I also participated to scientific diffusion events such as: Science festival, or Maths-club in high school, déclic, comptoirs des sciences.

INVITED SEMINARS:

1. Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB) Bordeaux, France, October 14, 2025 ”Modeling physico-chemical properties: choosing the appropriated tool according to the scale”
2. Laboratoire de Physique de l’école Normale Supérieure (LPENS-micromega) Paris, France, November 21, 2024 ”Simulation of the photoinduced reaction of CO oxidation on Ru(0001)”
3. Laboratoire de Chimie et Biochimie Computationnelles (LCBC-EPFL) Lausanne, Switzerland, October 22, 2024 ”Modeling reactivity of molecules on metal surfaces”
4. Laboratoire de physique des Atomes, Lasers et Molécules (PhLAM) Lille, France, July 4, 2024 ”Toward large computational cell: application of DFTB parametrized method for molecules on metal surfaces”
5. Institut Charles Gerhardt (ICGM) Montpellier, France, 8 March 8, 2024 ”Modeling reactivity of molecules on metal surfaces”
6. Institut des Sciences Moleculaire (ISM) Bordeaux, France, December 1, 2023 ”Dynamics of the Photo-induced desorption and oxidation of CO on Ru(0001) with different (O,CO) coverages” and ”Spectroscopic and computational investigation of the grafting of calix[4]arenes on gold nanorods”

ORGANIZATION OF EVENTS

1. ThéMoSiA Prospect ”Means of calculation” , volunteer member in the organization of the event in Marseille, (France), 20-21 November 2025
2. The Atomic Simulation Environment: Integration into Wider Community Projects , Co-organization of the CECAM workshop in Mainz, (Germany), 15-19 June 2026

REVIEWER ACTIVITIES

• Wiley
  • Advanced energy materials
  • Solar RRL
• Elsevier
  • Materials science & engineering
• Royal Society of Chemistry
  • PCCP
• American Physical Society– Physical Review Applied
  • Physical Review B

BIO

Updated 16/02/2026

I am born in France's Landes region, then I moved to Bordeaux at 17 to study chemistry at the University of Bordeaux.

I completed my Bachelor's in Chemistry (2013 to 2016) to pursue with an International Master in Physical-Chemistry and Chemical-Physics (PCCP) at Bordeaux university, and graduated in 2018.

During my master, I did an internship with Fabio Busnengo at the IFIR (Instituto de Física de Rosario) in Rosario, Argentina in simulating supersonic beam experiment of CH4 colliding with Ir(111) surface.

Thanks to the Transborder Laboratory (LTCQuantumChemPhys), I subsequently pursued in a PhD in Donostia-San Sebastian, Spain, under the supervision of Maite Alducin and Iñaki Juaristi, focusing on gas/solid interfaces.

In March 2023, I completed my PhD entitled "Dynamics of the photo-induced desorption and oxidation of CO on Ru(0001) with different (O, CO) coverages". My thesis explored CO and atomic O adsorption on the surface of Ru(0001) for various coverages, using Density Functional Theory (DFT) method and ab-initio molecular dynamics including electronic friction (AIMDEF). I also developed a Neural Network Potential Energy Surface (NNPES) to enhance molecular dynamic calculations.

In April 2023, I started a postdoctoral position at the Institut de Sciences Chimiques de Rennes (ISCR) in the CTI team, collaborating with Arnaud Fihey and Mikaël Kepenekian on simulating electrochemical processes on Au nanoparticles and carbon substrates.

In continuation to this post-doc I worked with Benoît Coasne (LIPhy) and Mikaël Kepenekian on a microkinetic reactor model to perform simulation of water gas shift on Mo5N6 material synthesized by Franck Tessier and Stephane Cordier at ISCR.

In April 2025, I moved to Lausanne to start a post-doc with Ursula Röthlisberger at LCBC lab at EPFL. There, I start implementing DFTB+ code to the MiMiC framework for QM/MM calculation. In parallel I participate to the simulation of solar cell devices (also performed in the group of U. Röthlisberger) using machine learning interatomic potential approach.

Yet (2026), I directed one M2 student internship and gave practical classes in General chemistry, and lectures in Atomistic, Crystallography, and Chemistry in solution (accessible in the section Teaching), and practical classes on Atomistic simulation.