diff --git a/spip2md/content.py b/spip2md/content.py index efbc21a..edff6f8 100644 --- a/spip2md/content.py +++ b/spip2md/content.py @@ -25,3 +25,5 @@ def test(filename): # Test test("../test/1.spip") test("../test/2.spip") +test("../test/3.spip") +test("../test/4.spip") diff --git a/test/3.spip b/test/3.spip new file mode 100644 index 0000000..aff672a --- /dev/null +++ b/test/3.spip @@ -0,0 +1,5 @@ +[L1 Parcours Spécial - Physique 1 ->https://cloud.irsamc.ups-tlse.fr/index.php/s/3yyo7J7gnPxdtQG] + +---- + +[L3 Parcours Spécial Physique - Mécanique Quantique -> https://cloud.irsamc.ups-tlse.fr/index.php/s/Zr3Me25b5GWamN3] diff --git a/test/4.spip b/test/4.spip new file mode 100644 index 0000000..689ec8f --- /dev/null +++ b/test/4.spip @@ -0,0 +1,78 @@ +# Louisnard Fernand + + + +

{{Ph.D Student}}

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

+{ {{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:}} } + +--- + +{{{SHORT CV}}} + +

+{ {{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 +

{ {{2017 - 2018}} } Master 2 in Theoretical chemistry and computational modelling, +TCCM ERASMUS Mundus Master, Valencia, SPAIN. +

{ {{2016 - 2017:}} } Master 1 in Theoretical chemistry and modelling, +Paul Sabatier University, Toulouse, FRANCE. +

{ {{2012 - 2015:}} } Bachelor in chemistry "Parcours spéciaux", +Paul Sabatier University, Toulouse, FRANCE. + +- [Full curriculum vitae (french)-> doc1215 ] + +- [Full curriculum vitae (english)-> doc1214 ] + +{{{RESEARCH ACTIVITIES}}} + + + +

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}