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Liste des Conférences Invitées CTMM par Année
2013
Trajectories-only computation of quantum cumulative reaction probabilities.,
«Journées de Dynamique du Sud-Ouest 2013.», Perpignan, 04-05 juin 2013,
Les Grands Défis de la Modélisation MultiEchelle dans le Domaine des Batteries Li-Ion,
«Modélisation multi‐échelle: applications aux procédés physico‐chimiques», Paris, 02 février 2013,
Ozone Photolysis: strong isotopologue/isotopomer selectivity in the stratosphere,
«International Symposium on Molecular Spectroscopy 68th Meeting. Minisyposium "Spectroscopy of Planetary Atmospheres."», Columbus, USA, 17-21 juin 2013,
Calculation of infrared shifts in water clusters,
«246th ACS National Meeting, "Theory and Experiment on Water and Hydration" Symposium», Indianapolis, USA, 8-12 septembre 2013,
Large Amplitude Motions Vibrational SCF method, application to molecular clusters,
«Third "Intermolecular Forces" workshop», Telluride, USA, 15-20 juillet 2013,
A Vibrational SCF method for Large Amplitude Motions in molecular clusters,
«""Convergent Distributed Environment for Computational Spectroscopy" workshop», El escorial, Espagne, 18-22 avril 2013,
Activation C-H catalytique: l'apport des études théoriques.,
«Journées Scientifiques 2013 de la Section Bretagne-Pays de la Loire de la SCF», Brest, France, 05-07 mai 2013,
Modelisation of a silica supported olefin metathesis catalysts. Some issues.,
«GECOM-CONCOORD», Cap d'Agde, France, 26-31 mai 2013,
Modeling Amorphous Silica Grafted Schrock Olefin Metathesis Catalysts,
«VALCA, Very Large and Very Accurate Calculations», Fevik, Norvège, 10-12 juin 2013,
Modeling Amorphous Silica Grafted Schrock Olefin Metathesis Catalysts,
«Challenges in Computational Homogeneous Catalysis», Stockholm, Suède, 13-14 juin 2013,
The Schrock olefin metathesis catalyst from a computational perspective,
«Symposium on Olefin metathesis», Oxford, Royaume-Uni, 24 mai 2013,
Towards a quantum liquid water potential,
«Spectroscopy and Dynamics of Molecules and Clusters 2013», Udaipur (Inde), 21-24 février 2013,
Optimizing a catalyst. The case of the olefin metathesis reaction,
«International symposium CRC. Chemical Theory for Complex Systems», Strasbourg, France, 07-08 mars 2013,
Origin of voltage hysteresis in Li-based materials for Li-ion batteries,
«2nd International Conference on Materials for Energy EnMat II», Karlsruhe, Allemagne, 05 mai 2013,
Interface Electrochemistry in Conversion Materials for Li-Ion Batteries : A first-principles DFT+U Study,
«IBA2013 : International battery association meeting», Barcelone, ESPAGNE, 10-15 mars 2013,
2012
Vers un potentiel quantique de l'eau,
«Réunion de la SFP, Symposium PAMO», Reims, juillet 2012,
Effective Potential Energy Surface for the acetylene dimer,
«International Solvay Workshop "Femto-, Astro, Spectro-Ethyne"», Bruxelles, mai 2012,
Two-layer anharmonicity of intramolecular bonds in water clusters,
«CECAM Workshop "Anharmonicity in medium-sized molecules and clusters"», Marne-la-Vallée, avril 2012,
Rationalizing the Electrochemical effects on Surfaces,
«Elementary reaction steps in electrocatalysis: Theory meets experiment», Castle Reisensburg (Allemagne), 28-31 octobre 2012,
The challenge of multi-scale in Li-Ion Batteries,
«International Worshop : Multiscale Modelling of Materials for Energy Conversion Applications», Athènes Grèce, 03 novembre 2012,
A generalised 17-state vibronic-coupling Hamiltonian model foe ethylene,
«Conference on Theory and Applications of Computational Chemistry 2012 (TACC-2012)», Pavia, Italie, 02-07 septembre 2012,
Ab initio study of water-metal interfaces: the impact of electrochemistry,
«Quantitative Micro-Nano Project», Idaho Falls, USA, 10-16 juin 2012,
Electrochemical Vs. Electromechanical Effects: Rationalizing Electrochemical Reactivity at Interfaces,
«11th spring meeting of the international electrochemical society», Washington, 23-25 mai 2012,
"La chimie théorique appliquée aux matériaux d'électrodes pour batteries Li-Ion : Conception et Rationalisation",
«13èmes Journées Francophones des Jeunes Physico-Chimistes», Dinard, FRANCE, 15-19 octobre 2012,
Interface Electrochemistry in Electrodes Materials for Li-Ion Batteries,
«63rd Meeting of the Electrochemical Society», Prague, République Tchèque, 19-24 août 2012,
Mechanistic Issues in Molecular Organometallic Chemistry: the contribution from computational studies,
«1st Meeting of the French and Israelian Academy of Science», Jerusalem, Israel, 14-15 mai 2012,
New Perspective in Schrock Olefin Metathesis catalysts from DFT perspective,
«NJC Symposium 2012», Beijing, China, 27 avril 2012,
Computational Studies of Reaction Mechanisms: the case of Hydrogen transfer reactions,
«NJC Symposium 2012», Shangai, China, 25 avril 2012,
Searching for Reaction Mechanisms with Computational Methods,
«NJC Symposium 2012», Hong-Kong, China, 22 avril 2012,
Interaction of metal-hydride Proton and hydride transfers,
«Metal Hydride in Biology», Oxford, Royaume Uni, 14-15 mars 2012,
CH activation by early and late transition metal complexes: Unusual pathways,
«223 ACS National Meeting», San Diego, Etats Unis, 25-29 mars 2012,
Kinetic energy operators and Vibronic coupling Hamiltonian models for molecular systems with motions of large amplitude,
«High dimensional quantum dynamics: challenges and opportunities», Birmingham, 12-14 avril 2012,
Ruthenium-borane complexes: structure and reactivity from a computational perspective,
«XXVth International Conference on Organometallic Chemistry», Lisbonne, Portugal, 2-7 septembre 2012,
Ruthenium-Borane Complexes: Structure and Reactivity from a Computational Perspective,
«95th Canadian Chemistry Conference», Calgary, Canada, 26-30 mai 2012,
2011
IR shifts of the water dimer,
«Royal Society Meeting "Water in the gas phase"», Chicheley (GB), juin 2011,
The electronic excited states of ethylene and large-amplitude deformations: A dynamical symmetry group investigation,
«ACS Fall 2011 National Meeting & Exposition», Denver, Etats-Unis, 28 août - 01 septembre 2011,
On the use of dispersion corrections in computational studies of transition metal reactivity,
«Challenges in Computational Homogeneous Catalysis», Stockholm, Suède, 25-26 août 2011,
Crystal Structure vs. Electrochemical Voltage in the New Family of High Potential Cathodes LiMSO4F (M = Fe, Mn) : An orbital description,
«7th International Symposium on Inorganic Phosphate Materials ISIPM-7», Chicago, US, 08-11 novembre 2011,
Hydrofluoroarylation of alkyne by Ni Catalyst: Reaction mechansim from a DFT approach,
«222nd ACS National Meeting», Denver, Etats Unis, 28 août - 01 septembre 2011,
d0 M(NR)XY(CHR) (M = Mo, W) Schrock olefin catalysts. Several reasons why they are better with X different from Y,
«International Symposium on Olefin Metathesis», Rennes, France, 10-15 juillet 2011,
Hydrofluorarylation of alkyne by Ni catalyst: Reaction mechanism from a DFT alkyne,
«222 ACS national meeting», Denver, Etats Unis, 28 août - 01 septembre 2011,
Nanosciences et approches artistiques,
«soirée spéciale et festive « dépassement des frontières »», Poitiers, 13 octobre 2011,
Electrochemistrie ab initio,
«GDR CoDFT 2011», Obernai, 27-30 juin 2011,
Les grandes Questions théoriques posées par le développement de la chimie verte,
«La chimie au 21ème siècle Nouveaux Concepts et outils face aux enjeux du développement durable», Paris, France, 15-16 septembre 2011,
Determining reaction mechanisms: the input from computational chemistry,
«ISHHC-XV», Berlin, Allemagne, 11-16 septembre 2011,
Computational Approaches to homogeneous catalysis: A powerful tool with “some” limitations,
«2011 Entretiens Jacques Cartier Colloquium on 21st Century Catalysis Science and Applications», Ottawa, 29-30 septembre 2011,
DFT Study of the mechanism of PD-catalysed arylation of carboxylic esters.,
«3rd Chinese French Workshop in Theoretical Chemistry», La Colle sur Loup, France, 10-12 octobre 2011,
Computational studies of reaction mechanisms,
«XIX EUCOMS», Toulouse, France, 04-08 juillet 2011,
Vibronic coupling Hamiltonian models with motions of large amplitude. Applications to Ethylen, HCCH+, and spiropyran.,
«11th International Workshop on Quantum Reactive Scattering», Santa-Fe, USA, 17-21 juillet 2011,
Structure and reactivity of transition metal complexes. Quantum vs non Quantum approach,
«Groupe de Graphisme et de Modélisation Moléculaire (GGMM)», La Rochelle, France, 30 mai - 01 juin 2011,
La Chimie Théorique, Miroir de la Realite ou Miroir aux Alouettes,
«Université de tous les savoirs, UTLS (La chimie partout)», Paris, France, 28 mai 2011,
Etablir des mécanismes de réactions en associant expérience et théorie. Une voie suivie par Pascal,
«Du ligand au complexe: aspects expérimentaux et théoriques Journée à la mémoire de Pascal Le Floch», Palaiseau, France, 27 mai 2011,
Computational study of reaction mechanisms: A powerful tool in organometallic chemistry,
«NJC symposium», Strasbourg, France, 12 avril 2011,
18-electron rule : myth or reality? A Natural Bond Orbital perspective.,
«8th International School of Organometallic Chemistry, ISOC2011», Camerino, Italie, 27-31 août 2011,
DFT Study of the mechanism of palladium-catalysed arylation of carboxylic esters.,
«9th Congress of the World Association of Theoretically Oriented Chemists, WATOC2011», Saint Jacques de Compostelle, Espagne, 17-23 juillet 2011,
Computational determination of reaction mechanisms. Some Pros and Cons,
«Gordon Conference Inorganic Reaction Mechanisms», Galveston, Etats-Unis, 06-11 mars 2011,
Interface Electrochemistry in Conversion Materials,
«Pacific Power Source Symposium», Kona US, 04 janvier 2011,
2010
The direct dynamics variational multiconfiguration Gaussian wavepacket method. Application to photochemical reactions,
«CECAM Meeting – Adiabatic and non-adiabatic methods in quantum dynamics», Lausanne, Suisse, 1-3 novembre 2010,
The electronic excited states of ethylene with large- amplitude deformations: a dynamical symmetry group investigation,
«3rd Annual Workshop of the COST Action CM0702 – Chemistry with Ultrashort Pulses and Free‐Electron Lasers: Looking for Control Strategies through “Exact” Computations (CUSPFEL)», Hersonissos, Grèce, 20-22 octobre 2010,
Quantum Chemistry and Energy Storage : Challenges and Related Isssues,
«International Workshop : Quantum Chemistry Beyond The Arctic Circle», Tromso, Norvège, 03 juin 2010,
First-Principles DFT calculations for Li-Ion Batteries,
«World Round Robin Seminar», Montpellier, France, 03 mars 2010,
Design of Electrode Materials for Li-ion Batteries from First-Principles,
«61st Annual meeting of the ISE International Society of Electrochemistry», Nice France, 05 septembre 2010,
Modélisation de l'activation C-H en catalyse homogène: aspects thermodynamiques et cinétique,
«Journées Sherbrooke-Montpellier 2010», Sherbrooke, Canada, 05-08 octobre 2010,
High resolution spectroscopy as a probe for ab initio calculations,
«International Conference of Computational Methods in Sciences and Engineering 2010», Kos, Grece, 03-08 octobre 2010,
Water dimer concentration in the atmosphere,
«240ème American Chemical Societey National Meeting : Symposium on "Physical Chemistry of Hydrates, Interfaces and Aerosols and their Relationship to Climate"», Boston, 22-27 août 2010,
Changing Paths by replacing carbon by silicon: Examples in d and f transition metal compounds,
«240th ACS Meeting», Boston, Etats-Unis, 22-26 août 2010,
Ab initio electrochemistry for bulk and interfacial energy materials,
«TYC:Energy materials: electro- and photo-chemical interfaces and devices”», Londres, 7-9 septembre 2010,
« Ab Initio Electrochemistry »,
«Worshop CECAM « Ab Initio Electrochemistry »», Lausanne Suisse, juillet 2010,
Mechanisms in Organometallic Chemistry by combining experimental and computational studies,
«Euchems 2010», Nuremberg, Allemagne, 29 août - 03 septembre 2010,
Optimiser un cycle catalytique par des calculs théoriques: Réussites et Risques,
«CHITEL 2010», Anglet, France, 19-24 septembre 2010,
Reactions of Cp’2CeH with CH3X (halide,OR, NR2) from a computational perspective,
«239th ACS Spring meeting», San Francisco, Etats-Unis, 21-25 mars 2010,
Fluorine substitution on arenes: Thermodynamic and kinetic consequences on C-H activation and direct arylation,
«239th ACS Spring 2010 meeting», San Francisco, Etats-Unis, 21-25 mars 2010,
Determining mechanisms of reaction with DFT calculations,
«NSF summer school on Catalysis», Seattle, Etats-Unis, 19-22 juillet 2010,
Determining mechanisms of reaction with DFT calculations,
«Summer school on catalysis», Oviedo, Espagne, 05-08 juillet 2010,
C-H Activation in Homogeneous Catalysis from a Computational Perspective,
«Groupe d'Etude en Chimie Organique 51», La Grande Motte, France, 01-05 septembre 2010,
Transition Metal Catalyzed C-H Activation from a Computational Perspective',
«Innovative Catalysis - New Processes and Selectivities», Ankara, Turquie, 25-27 mai 2010,
Dynamique quantique multidimensionnelle l’aide de l’approche Multi-Configuration Time-Dependent Hartree (MCTDH). Exemples d’applications, ́état des lieux et perspectives.,
«12ème Rencontre des Chimistes Théoriciens Francophones», Namur, belgique, 04-08 juillet 2010,
Quantum dynamics studies with the Multi-Configuration Time-Dependent Hartree (MCTDH) approach,
«2nd chinese french workshop in theoretical chemistry», Beijing, 21-26 juin 2010,
Water Dimer Equilibrium Constant from First-Principles Calculations,
«International Solvay Workshop ''Molecular Complexes in our Atmosphere and Beyond''», Bruxelles, Belgique, 19-23 avril 2010,
Water Dimer Equilibrium Constantfrom First-Principles Calculations,
«International Workshop ''Spectroscopic Signatures of Molecular Complexes.Ions in our Atmosphere and Beyond''», Benares, Inde, 01-05 février 2010,
Quantum trajectory computation of ultrashort laser pulse excitation dynamics,
«CCP6 Workshop on Quantum Trajectories», Bangor, Wales, U.K., 12-14 juillet 2010,
The electronic excited states of ethylene with large-amplitude deformations: a dynamical symmetry group investigation,
«XXth International Symposium on the Jahn-Teller Effect: Where Are the Nuclei Going – in Response of What the Electrons Are Doing?», Fribourg, Suisse, 16-20 août 2010,
First-principles approach to the design of new electrode for Li-Ion batteries,
«International Battery Association meeting - Pacific Power Source Symposium 2010», Kona, USA, 05 janvier 2010,
2009
On the importance of curvilinear coordinates,
«ICSME 2009», Rhodos, Greece, septembre 2009,
Quantum Dynamics with the Multi-Configuration Time-Dependent Hartree (MCTDH) Approach. Applications to Infra-red spectroscopy and Intramolecualr Energy Redistribution.,
«Theory days on irradiation of biomolecules», Toulouse, France, décembre 2009,
Interfacing MCTDH to ab initio codes,
«QDFrame: Providing a Framework for Quantum Dynamics Simulation Codes», Birmingham, Royaume-Uni, 14-15 décembre 2009,
Optimizing a catalyst by DFT calculations,
«Frontiers in computational Chemistry. Bridging Chemistry and Biology.», Haifa, Israel, 08 décembre 2009,
Computational and Experimental Organometalic Chemistry: A True Love Story,
«Dorothy Crowfoot-Hodgkin (DCH) symposium», Zurich, Suisse, 09 novembre 2009,
Design of New Electrodes for Li-Ion Batteries: Strategy and Related Issues,
«YESS Nano 2009», Saclay, France, 03 novembre 2009,
DFT calculations: a companion for optimizing a catalyst;,
«14th International Symposium on Relations between Homogeneous and Heterogeneous Catalysis (ISHHC XIV)», Stockholm, Suède, 14-18 septembre 2009,
Optimizing a catalyst with DFT calculations,
«ISOM18 International Symposium on Olefin Metathesis», Leipzig, Allemagne, 02-07 août 2009,
Computation and experiment companions in chemistry,
«FIGIPAS 2009», Palermo, Italie, 01-04 juillet 2009,
Understanding Reaction Mechanisms in Organometallic Chemistry: the result of a dialog between experimental and computational chemistry,
«IUPAC», Glasgow, Grande Bretagne, 02-07 août 2009,
Local Chemical Bond Analyses : Another way to rationalize and predict redox properties of electrode materials for Li-Ion batteries,
«Lithium Battery Discussion 2009», Arcachon, France, septembre 2009,
Quantum trajectory calculations for bipolar wavepacket dynamics,
«Journées de Dynamique du Sud-Ouest 2009», Bordeaux, France, 27-28 mai 2009,
Selectivity in C-H activation from a computational perspective,
«CERC3 Young Chemists' Workshop on catalytic C-H functionalization of organic molecules», Lyon, France, 05-08 avril 2009,
Rovibrational states of the water dimer in full dimensionality,
«Canadian Society of Chemistry Conference», Hamilton, Ontario, 30 mai - 04 juin 2009,
The quest for a quantum liquid water potential,
«Conference on Molecular Structure & Dynamics», Austin, USA, 8-10 janvier 2009,
Organometallic chemistry from a DFT perspective,
«13th ICQC International conference on Quantum Chemistry», Helsinki, Finlande, 22-27 juin 2009,
Transition Metal-Hydrides complexes: an especially appropriate field for collaboration between experiment and theory,
«237th ACS National Meeting», Salt Lake City, Etats-Unis, 22-26 mars 2009,
New Concepts of Redox Centres in Electrode Materials for Li-Ion Batteries : A step by step theoretical approach,
«International Conference on Materials for Advanced Technology - MRS Singapour», Singapour, Singapour, 28 juin - 03 juillet 2009,
Hydrogenation and Dehydrogenation of Organic Molecules in the presence of Metallic fragments,
«International Conferences on Hydrogen chemistry and Hydrogen storage, Methods and Material», Bengalore, Inde, 03-06 janvier 2009,
Quantum Trajectories for Bipolar and 2-state systems,
«Conference on Computational Molecular Structure and Dynamics», Austin, Texas, USA, 09-10 janvier 2009,
2008
Polyspherical Parametrization of a N-atom system : Principles and applications,
«2nd Workshop on High Dimensional quantum dynamics: challenges and opportunities», La Grande Motte, France, 25-28 février 2008,
Electrochemistry at metal surfaces,
«CERC3-YCM modeling of complex systems», Perugia, Italie, 01/05-04/05 mai 2008,
Time-dependent Wavepacket Study on trans-cis Isomerization of HONO with an external field.,
«2nd Workshop on High dimensional quantum dynamics: challenges and opportunities», La Grande Motte, France, 25-28 février 2008,
Introduction à la méthode MCTDH.,
«Journées de Spectroscopie Moléculaire», Lille, 07-10 juillet 2008,
Application of MCTDH to Intramolecular Energy Redistribution and Infrared Spectroscopy.,
«1st chinese-french workshop in theoretical chemistry», Royaumond France, 6-11 novembre 2008,
Test de potentiels quantiques pour l'eau liquide,
«Journées Dynamique du Sud Ouest», Montpellier, 19-20 mai 2008,
The quest for a quantum water potential,
«Molecular potential energy surfaces in many dimensions», Aberdeen (GB), 30 juin - 03 juillet 2008,
The quest for a quantum liquid water potential,
«Theoretical Tools for in-silico spectroscopy», Paris, 14-16 février 2008,
Design of New Anodes for Li-Ion Batteries : Strategy and Related Issues,
«International Workshop on "Fundamental of Lithium-based Batteries"», Tegernsee, Allemagne, 05 novembre 2008,
Bipolar Quantum Trajectory Dynamics,
«LANL/CNLS Workshop on Quantum Trajectories», Los Alamos, New Mexico, USA, 27-30 juillet 2008,
Hydrogenation and Dehydrogenation of Organic Molecules in the presence of Metallic fragments,
«WATOC», Sydney, Australie, 14-19 septembre 2008,
Optimizing a catalyst with DFT calculations,
«IDECAT», Porquerolles, France, 01-05 juin 2008,
2007
Apport de la méthode NBO en chimie organométallique,
«IX Journées Thématiques de Chimie Théorique», Marseille, 01 mars 2007,
Computational Chemistry: An Increasingly Important Way of Doing Chemistry,
«234th ACS National Meeting Presidential Session Roald Hoffmann at 70», Boston, Etats-Unis, 19-23 août 2007,
Optimizing a catalyst with DFT calculations,
«Gordon Conference on Organometallic Chemistry», Newport, Rhode-Island, Etats-Unis, 8-13 juillet 2007,
Expérience et Théorie: un dialogue productif en chimie.,
«Colloque "Création de savoirs, création de valeurs" 20eme anniversaire ENS Lyon», Lyon, 11-12 décembre 2007,
Reaction mechanisms in organometallic chemistry from a computational perspective,
«Réunion Scientifique SANOFI-Aventis», La Londe Les Maures, France, 01-04 avril 2007,
A DFT Study on the M-catalyzed (M=Rh,Mn) Rearrangement of Oxaziridines to Amides,
«Gordon Research Conference, Graduate Research Seminar: Organomet. Chem.», Newport, USA, 6-8 juillet 2007,
Using DFT Calculations for understanding and optimizing Chemical Transformations,
«Inorganic Reaction Mechanisms Meeting», York, Grande-Bretagne, 19-21 mars 2007,
Computational Chemistry is Also a Way of Doing Chemistry,
«Making,Catalysing,Analysing,Calculating:The Many Entries into the World of Molecules and Materials Science. An RSC-SFC symposium», Montpellier, France, 22 janvier 2007,
Ondes bipolaires,
«Journée de Dynamique du Sud-Ouest 2007», Toulouse, 16 mai 2007,
Insertion, Conversion, Displacement Redox Reactions in Transition Metal Phosphides,
«11th Euroconference on Science and Technology of Ionics», Batz-sur-Mer, France, 9-15 septembre 2007,
2006
Organometallic Reactivity from a computational point of view: Evaluation of HC/MC correlation,
«ICCMSE 2006 Symposium in the honor of B. Roos», Chaina, Grece, 26-30 octobre 2006,
Reactivity of lanthanides complexes with sigma bonds from a DFT perspective,
«ETTMC 2006», Barcelone, Espagne, 28-30 septembre 2006,
d0 olefin metathesis catalysts: receipes for an efficient catalysts from a DFT perspective,
«232nd ACS national meeting Symposium Theoretical Inorganic Mechanism», San Francisco, Etats-Unis, 10-14 septembre 2006,
C-H/CM bond energy relationship from DFT calculations. Reliable information on relative homolytic bond dissociation energy,
«232nd ACS National Meeting, Symposium: Radical Metal Complex Chemistry», San Francisco, Etats-Unis, 10-14 septembre 2006,
Activation de HH et de CH dans les pas de Bruno Chaudret,
«Symposium en l'honneur de la remise d'épée d'académicien à Bruno Chaudret», Toulouse, France, 24 octobre 2006,
Simple ideas for d0 olefin metathesis catalyst design from a DFT perspective,
«International Franco-Chinese Workshop on catalysis», Rennes , France, 21-23 juillet 2006,
Pseudo-spectral eigenvalues/eigenvectors calculations of large molecular systems,
«Mathematics in Chemistry», Lisbonne, Portugal, juillet 2006,
A flexible water dimer potential from theoretical and experimental results,
«Intermolecular Interactions: New Challenges to ab Initio Theory», Telluride, USA, juin 2006,
Carbènes N-hétérocycliques en catalyse: l'apport du théoricien,
«GECOM-CONCOORD 2006», Noirmoutier, France, 20-25 mai 2006,
Theoretical Study of Specific, Highly Excited States in DFCO,
«ICCMSE 2006 (International Conference of Computational Methods in Sciences and )», Chania (Crête), 24-31 octobre 2006,
Analyse Locale et Liaison Chimique : Outils Théoriques Appliqués à la Conception de Matériaux d'Electrode pour Batteries Li-Ion,
«XIe Réunion des Chimistes Théoriciens Francophones», Nancy, France, 04 juillet 2006,
A New Phase Diagram for Li-Graphite between Stage II and Stage I: First-Princples calculations and statistical physics,
«IBA – HBC 2006 – International Battery Association», Kona, USA, 05 janvier 2006,
Local Chemical Bond Analysis to predict the Redox Properties of Electrode Materials for Li-Ion Batteries,
«6th Japan-France Joint Seminar on Li-Ion Batteries», Kawaguchiko, Japon, 03 septembre 2006,
2005
Local Chemical Bond Analysis to predict the Redox Properties of Electrode Materials for Li-Ion Batteries,
«Material Research Science MRS - Fall Meeting», Boston, US, 05 novembre 2005,
Reactivity Patterns for Intermolecular C-F and C-H Activation of Fluoroalkanes at Metallocenelanthanide Hydrides from DFT Calculations,
«Quantum Chemistry Applied: From H3 to Biocatalysis. A symposium to celebrate the 60th birthday of P E M Siegbahn», Stockholm, Suède, 18-22 juin 2005,
Role of the water dimer in the atmosphere,
«19th Colloquium on "High Resolution Molecular Spectroscopy"», Salamanque, Espagne, juin 2005,
Water dimers and weakly interacting species in atmospheric modeling,
«CECAM Workshop», Lyon, France, avril 2005,
Utilisation de trajectoires Bohmiennes en dynamique quantique,
«Fédération Lumière-Matière, 3eme Journée des Théoriciens», Orsay, France, 05 décembre 2005,
Counter Ion E ffects on Structure and Reactivity from a DFT Perspective,
«Molecular Crystal Engineering : Euroconference on Evaluations and Predictions of Solid State Materials Properties», Helsinki, Finlande, 21-25 juin 2005,
Applications of MCTDH to tetra- and penta-atomic molecular systems : full "ab initio treatment" of intramolecular vibrational energy redistribution and inelastic scattering.,
«High dimensional quantum dynamics: challenges and opportunities», Leiden, Pays-bas, 05 septembre 2005,
