Eric MICHOULIER

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

Article dans une revue (7)

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
Electronic excited states of benzene in interaction with water clusters: influence of structure and size Nadia Ben Amor,Eric Michoulier,Aude Simon Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2021, 140 (6), pp.70. ⟨10.1007/s00214-021-02764-7⟩ Article dans une revue hal-03241186v1
Perturbation of the Surface of Amorphous Solid Water by the Adsorption of Polycyclic Aromatic Hydrocarbons Eric Michoulier,Céline Toubin,Aude Simon,Joëlle Mascetti,Christian Aupetitet al. Journal of Physical Chemistry C, 2020, 124 (5), pp.2994-3001. ⟨10.1021/acs.jpcc.9b09499⟩ Article dans une revue hal-02447448v1
Influence of ice structure on the soft UV photochemistry of PAHs embedded in solid water J. A. Noble,Eric Michoulier,C. Aupetit,J. Mascetti Astronomy & Astrophysics - A&A, 2020, 644, pp.A22. ⟨10.1051/0004-6361/202038568⟩ Article dans une revue hal-03022873v1
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 Korchaginaet al. Molecular Simulation, 2019, 45 (4-5), pp.249-268. ⟨10.1080/08927022.2018.1554903⟩ Article dans une revue hal-01965494v1
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
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 Mascettiet al. Physical Chemistry Chemical Physics, 2018, 20, pp.11941-11953. ⟨10.1039/C8CP01175C⟩ Article dans une revue hal-01764650v1

Communication dans un congrès (10)

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 Raveskiet al. 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 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
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
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
Characterization of the Thermal Dependence of SAW Stress Sensitivity Sébastien Alzuaga,Eric Michoulier,Jean Michel Friedt,Gilles Martin,Pierre Berthelotet al. 10ème Congrès Français d'Acoustique, Apr 2010, Lyon, France Communication dans un congrès hal-00539765v1

Poster de conférence (7)

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 Toubinet al. The Astrochemical Week COST Action CM1401, Jan 2017, Faro, Portugal. , 2017 Poster de conférence hal-01486232v1
Theoretical study of Cl&lt;sub&gt;2&lt;/sub&gt;-H&lt;sub&gt;2&lt;/sub&gt;O 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 Toubinet al. 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,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
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

Thèse (1)

Influence de la glace d’eau sur les propriétés spectroscopiques et énergétiques d’hydrocarbures aromatiques polycycliques Eric Michoulier Chimie-Physique [physics.chem-ph]. Université de Lille 1 - Sciences et Technologies, 2017. Français. ⟨NNT : ⟩ Thèse tel-02007603v1