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Eric MICHOULIER

23
Documents

Présentation

##### Whether during my P2N (Physics, Numerical Physics) master's internship or during my doctoral research work, I worked on solving various problems requiring the understanding of physical phenomena as well as the use of different languages. programming, software to solve equations or process data. The scientific points of which I have acquired solid skills are the following: **-Molecular dynamics** **-Molecular dynamics with tensorial electronic friction** **-Parametrization of force field** **-Integration of polarization implicitly or explicitly** **-Semi-empirical electronic structure calculation, specifically at SCC-DFTB level** **-Define empirical parameters to calculate SCC-DFTB atomic charges** **-Ionization of systems** **-Excited charge transfer states** To summarize, my interest is in the study of phenomena (reactivity, diffusion, interaction, parametrization) involving the modeling of molecular systems.

Publications

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Dissipative friction dynamics within the density-functional based tight-binding scheme

Eric Michoulier , Didier Lemoine , Fernand Spiegelman , Sven Nave , Mathias Rapacioli
The European Physical Journal. Special Topics, 2023, 232, pp.1975-1983. ⟨10.1140/epjs/s11734-023-00937-y⟩
Article dans une revue hal-04172615v3

Perturbation of the Surface of Amorphous Solid Water by the Adsorption of Polycyclic Aromatic Hydrocarbons

Eric Michoulier , Céline Toubin , Aude Simon , Joëlle Mascetti , Christian Aupetit
Journal of Physical Chemistry C, 2020, 124 (5), pp.2994-3001. ⟨10.1021/acs.jpcc.9b09499⟩
Article dans une revue hal-02447448v1

Contribution of the density-functional-based tight binding scheme to the description of water clusters: methods, applications and extension to bulk systems

Aude Simon , Mathias Rapacioli , Eric Michoulier , Linjie Zheng , Kseniia Korchagina
Molecular Simulation, 2019, 45 (4-5), pp.249-268. ⟨10.1080/08927022.2018.1554903⟩
Article dans une revue hal-01965494v1

Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice

Eric Michoulier , Nadia Ben Amor , Mathias Rapacioli , Jennifer Anna Noble , Joëlle Mascetti
Physical Chemistry Chemical Physics, 2018, 20, pp.11941-11953. ⟨10.1039/C8CP01175C⟩
Article dans une revue hal-01764650v1

Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics

Eric Michoulier , Jennifer A. Noble , Aude Simon , Joëlle Mascetti , Céline Toubin
Physical Chemistry Chemical Physics, 2018, 20, pp.8753-8764. ⟨10.1039/C8CP00593A⟩
Article dans une revue hal-01742363v1
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New generation of composite substrates based on a layer of LiTaO3 on silicon for surface acoustic waves components

Alexandre Clairet , Emilie Courjon , Thierry Laroche , Florent Bernard , Alexandre Raveski
Forum Acusticum, Dec 2020, Lyon, France. pp.2527-2533, ⟨10.48465/fa.2020.0157⟩
Communication dans un congrès hal-03231876v1

Theoretical description of interstellar ices from a multimethod approach

Eric Michoulier , Joelle Mascetti , Jennifer A. Noble , Céline Toubin , Aude Simon
Atelier-glaces : Les glaces astrophysiques: observations, modèles, expériences de laboratoires, Oct 2019, Paris, France
Communication dans un congrès hal-02305382v1

PAHs adsorbed on interstellar ice: Structures, energetics and IR spectra from a multi-method theoretical study

Eric Michoulier , Céline Toubin , Aude Simon
256th ACS National Meeting, Aug 2018, Boston, United States
Communication dans un congrès hal-01857915v1

Adsorption of PAHs on interstellar ice viewed from molecular dynamics

Eric Michoulier , Céline Toubin , Aude Simon
Astrochemical conference KIDA2017, Sep 2017, Bordeaux, France
Communication dans un congrès hal-01599003v1

Adsorption of PAHs on interstellar ice viewed from molecular dynamics

Eric Michoulier , Céline Toubin , Aude Simon
The Astrochemical Week COST Action CM1401, Jan 2017, Faro, Portugal
Communication dans un congrès hal-01486230v1

Adsorption of PAHs on interstellar ice viewed from molecular dynamic

Eric Michoulier , Céline Toubin , Aude Simon
Réunion plénière – Forum jeunes chercheurs du GdR de Spectroscopie Moléculaire SPECMO, PhLAM laboratory, May 2017, Lille, France
Communication dans un congrès hal-01525286v1

Modélisation de l’adsorption et de la spectroscopie de HAPs à la surface de la glace interstellaire

Eric Michoulier , Aude Simon , Jennifer A. Noble , Joëlle Mascetti , Céline Toubin
Annual meeting of the GDR EMIE 2016, Sep 2016, Dinard, France
Communication dans un congrès hal-01655690v1

Modeling the adsorption of polycyclic carbonated molecules on interstellar ices

Eric Michoulier , Céline Toubin , Aude Simon
7th International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC2016), Jun 2016, Le Havre, France
Communication dans un congrès hal-01655680v1

Modeling the adsorption of polycyclic carbonated molecules on interstellar ices

Eric Michoulier , Céline Toubin , Maurice Monnerville , Aude Simon
25th International Symposium on Polycyclic Aromatic Compounds, ISPAC 2015, Sep 2015, Bordeaux, France
Communication dans un congrès hal-01655659v1
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Characterization of the Thermal Dependence of SAW Stress Sensitivity

Sébastien Alzuaga , Eric Michoulier , Jean Michel Friedt , Gilles Martin , Pierre Berthelot
10ème Congrès Français d'Acoustique, Apr 2010, Lyon, France
Communication dans un congrès hal-00539765v1

Photochemistry of PAH in water ice and of PAH:water complexes. Reaction mechanisms and astrophysical implications.

Jennifer A. Noble , Eric Michoulier , Christelle Aupetit , Christophe Jouvet , Céline Toubin
The Astrochemical Week COST Action CM1401, Jan 2017, Faro, Portugal. , 2017
Poster de conférence hal-01486232v1

Theoretical study of Cl2-H2O interaction

Alejandro Rivero Santamaría , Eric Michoulier , Denis Duflot , Céline Toubin , Maurice Monnerville
Réunion WP1 CLIMIBIO, Jun 2017, Lille, France. , 2017
Poster de conférence hal-01536231v1

Adsorption of PAHs on interstellar ice viewed from molecular dynamics

Eric Michoulier , Aude Simon , Céline Toubin
CECAM workshop: Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes, Jun 2017, Toulouse, France. , 2017
Poster de conférence hal-01592211v1

PAHs adsorbed on interstellar ice: a multi-method theoretical study

Eric Michoulier , Céline Toubin , Aude Simon
AstroLille 2016 - Colloque bi-annuel du programme national INSU/PCMI, Oct 2016, Lille, France. , 2016
Poster de conférence hal-01486276v1

Photochemistry of water:PAH complexes and ice mixtures: the role of molecular orientation in reactivity

Jennifer A. Noble , Eric Michoulier , Christelle Aupetit , Christophe Jouvet , Céline Toubin
AstroLille 2016 - Colloque bi-annuel du programme national INSU/PCMI, Oct 2016, Lillle, France. , 2016
Poster de conférence hal-01486250v1

Modeling of the reactivity of polycyclic carbonated molecules on grains for interstellar and atmospheric chemistry

Eric Michoulier , Maurice Monnerville , Céline Toubin , Aude Simon
GDR EMIE - Réunion plénière 2015 , May 2015, Biaritz, France.
Poster de conférence hal-01657817v1

Modeling of the reactivity of polycyclic carbonated molecules on grains for interstellar and atmospheric chemistry

Eric Michoulier , Céline Toubin , Maurice Monnerville , Aude Simon
Next generation quantum based molecular dy-namics: challenges and perspectives, Jul 2015, Bremen, Germany.
Poster de conférence hal-01657828v1