Present position and research interests

Since 2020

Research consultant on the behalf of TotalEnergies S.E. Atomistic simulations of adsorption, diffusion & transport of CO₂ in Metal-Organic Frameworks and beds for the CO₂ capture of wet carbon sources.

2016-2020

Postdoctorat at MITEI (MIT Energy Initiative). Massachusetts Institute of Technology, MIT, USA. Atomistic simulations of nanoparticle stability deposited on mesoporous carbon CMK: Application to hydrogen storage.

Contribution: Development & exploitation of the model and interpretation of the results.

Keywords: CMK; Nanoparticles; Monte Carlo simulations; Magnetism; Tight Binding.

Collaborators: C. Zlotea, J-M. R. Pellenq

2014-2016

Postdoctorat at CINaM (Centre Interdisciplinaire de Nanoscience de Marseille - CNRS UMR 7325) Université Aix-Marseille, Campus Luminy, France. Computational model of the SWCNT nucleation and growth on catalyst.

Contribution: Exploitation of the model and interpretation of the results.

Keywords: Nanotubes; Nanoparticles; Monte Carlo simulations; Tight Binding.

Collaborators: C. Bichara, A. Zappelli, H. Amara, F. Ducastelle

2013-2014

Postdoctorat at ILM (Institut Lumière Matière - CNRS UMR 5306) Université Claude Bernard, Lyon 1, France. Modeling metal nanoparticles on graphene epitaxied on metals by Monte Carlo simulations.
ANR project NMGEM 16-339233

Contribution: Development of the Monte Carlo algorithm in canonical (NVT) and isothermal-isobaric (NPT) ensembles, exploitation and interpretation of the results.

Keywords: Graphene; Monte Carlo simulations; Tight Binding; N body potentials.

Collaborators: F. Calvo, F. Rabilloud, G.D. Förster

2012-2013

Postdoctorat at APCTP (Asia Pacific Center for Theoretical Physics) POSTECH University, Pohang South Korea. Long range interactions and strong dielectric contrast on the counter-ions distribution at the surface of highly charged biomolecules by finit elements simulations.

Contribution: Developement of the finit elements program and algorithms, exploitation and interpretation of the results.

Keywords: Biophysics; Field theory; Finite elements; EDP; Langevin equation.

Collaborators: Y.S. Jho, A. Constantinescu

2008-2012

PhD at LPTM (Laboratoire de Physique Théorique et Modélisation - CNRS UMR 8089), Spin transport in magnetic thin films materials by Monte Carlo simulations.

Contribution: Developement of the theoritical model in collaboration with Pr. H.T. Diep, development of the Monte Carlo Metropolis algorithm, exploitation and interpretation of the results.

Keywords: Spin transport; Monte Carlo simulation; Magnetic resistivity; Magnetic materials; Boltzmann equation.

Collaborators: H.T. Diep, H.D. Taï

Teaching Experience: C-programing, Numerical methods

2007-2008

Engineer at LPP (Laboratoire de Physique des Plasmas - CNRS), in software development and data visualization.

Education

2006-2007

Master 2 in Micro and Nanotechnologies at Orsay, University Paris Sud XI, France.

Internship (6 months) under the supervision of Pr. Alphonse Finel and Dr. Mathieu Fèvre at LEM (Laboratoire d'Etude des Micro-structures CNRS-ONERA, Châtillon). Determination of phase diagram of binary alloy by Monte Carlo simulations.

2005-2006

Master 1 in Fundamental and Applied Physics at Orsay, University Paris Sud XI, France.

Intership (3 months) under the supervision of Pr. Caroline Nore at LIMSI (Laboratoire d'Informatique Mécanique et des Sciences de l'Ingénieur CNRS, Orsay). Influence of limit conditions in von Karman Sodium experience on the threshold of the dynamo effect by finite elements.

2004-2005

Winner of microgravity flight campaign organized by ESA (European Spatial Agency, Bordeaux). Design of an experiment, measurements and study of Saffman-Taylor instabilities in Hele-Shaw cell in Zero gravity.