spip2md/test/4.spip

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<h1>{{Ph.D Student}}</h1>

{ {{E-mail:}} } fernand.louisnard[AT]irsamc.ups-tlse.fr

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{ {{Address:}} } Laboratoire de Chimie et Physique Quantiques, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex 4, France

{ {{Office:}} } 221 Building 3R1B4

{ {{Phone:}} }

{ {{Fax:}} }

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{{{SHORT CV}}}

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{ {{2018 - 2021:}} } Ph.D in Theoretical chemistry   
Paul Sabatier University, {{Laboratoire de Chimie et Physique Quantiques (LCPQ)}}, Toulouse, FRANCE.
Exploration of energetic landscapes and nuclear quantum effects: A Parallel-Tempering Path-Integral Molecular Dynamics approach.
Director: Aude Simon
Co-director: Jérôme Cuny
<p align=justify>{ {{2017 - 2018}} } Master 2 in Theoretical chemistry and computational modelling,
TCCM ERASMUS Mundus Master, Valencia, SPAIN. 
<p align=justify>{ {{2016 - 2017:}} } Master 1 in Theoretical chemistry and modelling, 
Paul Sabatier University, Toulouse, FRANCE.
<p align=justify>{ {{2012 - 2015:}} } Bachelor in chemistry "Parcours spéciaux",
Paul Sabatier University, Toulouse, FRANCE.

- [Full curriculum vitae (french)-> doc1215 ]

- [Full curriculum vitae (english)-> doc1214 ]

{{{RESEARCH  ACTIVITIES}}}

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<p align=justify>I am developping methods (Path Integral Molecular Dynamics (PIMD), asynchronous Replica Exchange Molecular Dynamics (REMD) and (Replica Exchange Path Integral Molecular Dynamics (PIREMD) to enhance Molecular Dynamic simulations on the [deMonNano->http://demon-nano.ups-tlse.fr/] code (which is a DFTB code) and the [deMon2k->http://demon-software.com/public_html/index.html] code (a DFT code). Using the right parallelization method for their implementation, they fit perfectly the architecture of supercomputers and show a great scaling peformance.

In the second part of my Ph.D I will use these methods to determine the impact of Nuclear Quantum Effects (NQEs) on:

- neutral and protonated water clusters
- proton transfer on water clusters
- the behavior of protons adsorbed on metals surfaces such as silver, gold or ruthenium
- the absorption and emission properties of simple organic molecules in aqueous solvant.

- [Full publication list -> ******* ]

{{{TEACHING}}}

{{L1 Level:}}

-{{2018-2019 Physique}} S2 Rebondir (27h Cours/TD)

{{L2 Level:}}

-{{2018-2019 Atomistique et liaison chimique I}} L2 Parcours Spéciaux (4h Cours/TD)

{{L3 Level:}}

-{{2018-2020 Structure Géométrique et Réactivité}} L3 Chimie (14h TD) -{{2018-2020 Thermodynamique et Cinétique}} L3 Chimie (20h TP)

{{Schools:}}

-{{2019 Molecular Dynamics}} TCCM Winter School\} School for advanced sciences of Luchon, Luchon-Superbagnères, FRANCE

{{{ORAL COMMUNICATIONS}}}

-{{MPI implementation of the Parallel-Tempering Molecular Dynamics (PTMD) approach in deMon2k.}}
F. Louisnard, J. Cuny, A. Simon
19th deMon developpers Workshop, Fréjus (France), May 2019\} -{{Synchronous and Asynchronous implementation of the Parallel-Tempering Molecular Dynamics method in the codes deMonNano and deMon2k}}
F. Louisnard, J. Cuny, A. Simon
Les Toulousaines du Calcul Atomique et Moléculaire" –TouCAM, Toulouse (France), November 2019\}