CTMM Invited conferences

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Année 2017
  • Fabien Gatti,
    Vibronic coupling Hamiltonian models for molecular systems with motions of large amplitude    ,
    «Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems»,     Telluride, Etats-Unis, 17-21 juillet 2017,
Année 2016
  • Fabien Gatti, David Mendive-Tapia, Hans-Dieter Meyer
    A multidimensional quantum mechanical treatment applied to picosecond electron transfer in plant cryptochromes    ,
    «The 15th Theoretical Chemistry Symposium»,     Hyderabad, Inde, 14-17 décembre 2016,
  • Fabien Gatti, Hans-Dieter Meyer, David Mendive-Tapia
    The Mutli-Configuration Time-Dependent Hartree (MCTDH) method: an approach to solve the time-dependent Schrödinger equation    ,
    «Universality in Few-Body Systems, Kalvi Institute for theoretical physics»,     Santa Barbara, USA, 14-30 novembre 2016,
  • Fabien Gatti,
    Quantum effects in Chemistry: some perspectives    ,
    «Symposium on 70th birthday of Lorenz Cederbaum»,     Heidelberg, Allemagne, 04-05 novembre 2016,
  • Fabien Gatti,
    Vibronic coupling Hamiltonian models for molecular systems with motions of large amplitude    ,
    «5th workshop on "High dimensional quantum dynamics: challenges and opportunities"»,     Rostock, Allemagne, 01-03 septembre 2016,
  • Fabien Gatti,
    Quantum coherent control of chemical processes: some perspectives    ,
    «XXXII Annual Meeting of the Reference Network on Theoretical and Computational Chemistry – (2016)»,     Barcelone, espagne, 04-05 juillet 2016,
Année 2015
  • Fabien Gatti,
    Controlling Chemical Reactions with laser pulses: Applications of the Multi-COnfiguration Time-Dependent Hartree (MCTDH) Method    ,
    «Energy materials Nanotechnology Meeting on Ultrafast Research»,     Las Vegas, Etats-Unis, 16-19 novembre 2015,
  • Claude Leforestier,
    Spectroscopy as a Probe of Quantum Water Potentials    ,
    «XVIII Conference 'High Resolution Molecular Spectroscopy'»,     Tomsk (Russie), 30 juillet - 04 août 2015,
  • Fabien Gatti,
    Applications of the Multi-Configuration Time-Dependent Hartree method to collisions and calculations of quantum resonances    ,
    «Theory extended workshop on "kinetics and scattering theory for astrophysics"»,     Garching, Allemagne, 25-27 novembre 2015,
  • Fabien Gatti, Benjamin Lasorne,
    Understanding and Controlling Chemical Reactions: Application of the Multi-Configuration Time-Dependent Hartree method    ,
    «31st meeting of Catalan Theoretical and Computational Chemists»,     Gérone, Espagne, 25-26 juin 2015,
  • Fabien Gatti, Benjamin Lasorne,
    Understanding and Controlling Chemical Reactions: Application of the Multi-Configuration Time-Dependent Hartree method    ,
    «Pacifichem 2015»,     Honolulu, Etats-Unis, 15-20 décembre 2015,
  • Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer
    Molecular Quantum Dynamics with the Multi-Configuration Time-Dependent Hartree (MCTDH) method: an overview    ,
    «4th International Symposium on Energy Challenges and Mechanics»,     Aberdeen, Ecosse, 11-13 août 2015,
  • Fabien Gatti,
    Full ab inito Molecular Quantum Dynamics with the Multi-Configuration Time-Dependent Hartree (MCTDH) method    ,
    «5th Chinese-French-Workshop-Theoretical-Chemistry»,     Strasbourg, France, 10-13 mai 2015,
  • Fabien Gatti, Benjamin Lasorne,
    Understanding and Controlling Chemical Reactions: Applications of the multiconfiguration time-dependent Hartree (MCTDH)    ,
    «“Theoretical Challenges in Small Molecule Dynamics", satellite meeting of the ICQC 2015»,     Dalian, Chine, 04-08 juin 2015,
Année 2014
  • Claude Leforestier,
    Calculation of IR shifts of water clusters    ,
    «Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems»,     Telluride (USA), 14-18 juillet 2014,
  • Claude Leforestier,
    Calculation of IR shifts of water clusters    ,
    «Chemical Reactivity 2014»,     Bordeaux, 22-24 janvier 2014,
  • Fabien Gatti, Benjamin Lasorne, Roberto Marquardt, Stéphane Guérin, Hans-Dieter Meyer
    Understanding and controlling chemical reactions: applications of the multi-configuration time-dependent hartree method    ,
    «High dimensional quantum dynamics 2014»,     Mittelwihr, 02-06 septembre 2014,
  • Fabien Gatti,
    Quantum Dynamics with the MCTDH approach    ,
    «Nha Trang Workshop 2014»,     Nha Trang, Vietnam, 25-29 août 2014,
  • Fabien Gatti, Benjamin Lasorne,
    Applications of coherent control to chemical processes    ,
    «10th International Conference of Computational Methods in Sciences and Engineering 2014»,     Athènes, Grèce, 04-07 avril 2014,
  • Fabien Gatti, Benjamin Lasorne,
    Control of the quantum dynamics of floppy systems with laser pulses    ,
    «Workshop on Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems»,     Telluride, Etats-Unis, 20-24 juillet 2014,
Année 2013
  • Fabien Gatti, Rémy Jost, Steve Ndengué, Agnes Vibok, Gabor Halasz, Benjamin Lasorne, Aurélie Perveaux, Hans-Dieter Meyer
    The Multi-Configuration Time-Dependent Hartree (MCTDH) approach. Applications to ozone.    ,
    «2-nd International WORKSHOP “Spectroscopy and Dynamics of Ozone and Related Atmospheric Species”»,     Reims, France, 02-04 octobre 2013,
  • Gérard Parlant, Yong-Cheng Ou, Kisam Park, Bill Poirier
    Trajectories-only computation of quantum cumulative reaction probabilities.    ,
    «Journées de Dynamique du Sud-Ouest 2013.»,     Perpignan, 04-05 juin 2013,
  • Fabien Gatti, Benjamin Lasorne, Fabien Gatti, Aurelie Perveaux, Steve Ndengué, Rémy Jost
    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,
  • Claude Leforestier,
    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,
  • Claude Leforestier,
    Large Amplitude Motions Vibrational SCF method, application to molecular clusters    ,
    «Third "Intermolecular Forces" workshop»,     Telluride, USA, 15-20 juillet 2013,
  • Claude Leforestier,
    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,
  • Claude Leforestier,
    Towards a quantum liquid water potential    ,
    «Spectroscopy and Dynamics of Molecules and Clusters 2013»,     Udaipur (Inde), 21-24 février 2013,
Année 2012
  • Claude Leforestier,
    Vers un potentiel quantique de l'eau    ,
    «Réunion de la SFP, Symposium PAMO»,     Reims, juillet 2012,
  • Claude Leforestier, G.Jensen, A.Temkin, M.Herman
    Effective Potential Energy Surface for the acetylene dimer    ,
    «International Solvay Workshop "Femto-, Astro, Spectro-Ethyne"»,     Bruxelles, mai 2012,
  • Claude Leforestier,
    Two-layer anharmonicity of intramolecular bonds in water clusters    ,
    «CECAM Workshop "Anharmonicity in medium-sized molecules and clusters"»,     Marne-la-Vallée, avril 2012,
  • Fabien Gatti, J. Jornet Somoza, L. Joubert Doriol, B. Lasorne, H.-D. Meyer, D. Lauvergnat, M. Ndong
    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,
Année 2011
  • Claude Leforestier,
    IR shifts of the water dimer    ,
    «Royal Society Meeting "Water in the gas phase"»,     Chicheley (GB), juin 2011,
  • Fabien Gatti, F. Gatti, B. Lasorne, L. Joubert Doriol, H.-D. Meyer
    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,
Année 2010
  • Claude Leforestier, R.Saykally, K.Szalewicz, A.van der Avoird
    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,
  • Claude Leforestier, K.szalewicz, A. van der Avoird
    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,
  • Fabien Gatti, Benjamin Lasorne, Loïc Joubert Doriol,
    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,
  • Fabien Gatti, Benjamin Lasorne, Loïc Joubert Doriol,
    Quantum dynamics studies with the Multi-Configuration Time-Dependent Hartree (MCTDH) approach    ,
    «2nd chinese french workshop in theoretical chemistry»,     Beijing, 21-26 juin 2010,
  • Claude Leforestier, K.Szalewicz, A.van der Avoird
    Water Dimer Equilibrium Constant from First-Principles Calculations    ,
    «International Solvay Workshop ''Molecular Complexes in our Atmosphere and Beyond''»,     Bruxelles, Belgique, 19-23 avril 2010,
  • Claude Leforestier, K.Szalewicz, A.van der Avoird
    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,
  • Gérard Parlant,
    Quantum trajectory computation of ultrashort laser pulse excitation dynamics    ,
    «CCP6 Workshop on Quantum Trajectories»,     Bangor, Wales, U.K., 12-14 juillet 2010,
Année 2009
  • Fabien Gatti,
    On the importance of curvilinear coordinates    ,
    «ICSME 2009»,     Rhodos, Greece, septembre 2009,
  • Fabien Gatti,
    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,
  • Gérard Parlant,
    Quantum trajectory calculations for bipolar wavepacket dynamics    ,
    «Journées de Dynamique du Sud-Ouest 2009»,     Bordeaux, France, 27-28 mai 2009,
  • Claude Leforestier,
    Rovibrational states of the water dimer in full dimensionality    ,
    «Canadian Society of Chemistry Conference»,     Hamilton, Ontario, 30 mai - 04 juin 2009,
  • Claude Leforestier,
    The quest for a quantum liquid water potential    ,
    «Conference on Molecular Structure & Dynamics»,     Austin, USA, 8-10 janvier 2009,
  • Gérard Parlant,
    Quantum Trajectories for Bipolar and 2-state systems    ,
    «Conference on Computational Molecular Structure and Dynamics»,     Austin, Texas, USA, 09-10 janvier 2009,
Année 2008
  • Falk Richter,
    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,
  • Fabien Gatti,
    Introduction à la méthode MCTDH.    ,
    «Journées de Spectroscopie Moléculaire»,     Lille, 07-10 juillet 2008,
  • Fabien Gatti,
    Application of MCTDH to Intramolecular Energy Redistribution and Infrared Spectroscopy.    ,
    «1st chinese-french workshop in theoretical chemistry»,     Royaumond France, 6-11 novembre 2008,
  • Claude Leforestier, Semparithi Aravindan,
    Test de potentiels quantiques pour l'eau liquide    ,
    «Journées Dynamique du Sud Ouest»,     Montpellier, 19-20 mai 2008,
  • Claude Leforestier,
    The quest for a quantum water potential    ,
    «Molecular potential energy surfaces in many dimensions»,     Aberdeen (GB), 30 juin - 03 juillet 2008,
  • Claude Leforestier, Semparithi Aravindan,
    The quest for a quantum liquid water potential    ,
    «Theoretical Tools for in-silico spectroscopy»,     Paris, 14-16 février 2008,
  • Gérard Parlant, K. Park, Bill Poirier
    Bipolar Quantum Trajectory Dynamics    ,
    «LANL/CNLS Workshop on Quantum Trajectories»,     Los Alamos, New Mexico, USA, 27-30 juillet 2008,
Année 2007
  • David Balcells,
    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,
  • Gérard Parlant, Bill Poirier
    Ondes bipolaires    ,
    «Journée de Dynamique du Sud-Ouest 2007»,     Toulouse, 16 mai 2007,
Année 2006
  • Claude Leforestier,
    Pseudo-spectral eigenvalues/eigenvectors calculations of large molecular systems    ,
    «Mathematics in Chemistry»,     Lisbonne, Portugal, juillet 2006,
  • Claude Leforestier,
    A flexible water dimer potential from theoretical and experimental results    ,
    «Intermolecular Interactions: New Challenges to ab Initio Theory»,     Telluride, USA, juin 2006,
Année 2005
  • Claude Leforestier,
    Role of the water dimer in the atmosphere    ,
    «19th Colloquium on "High Resolution Molecular Spectroscopy"»,     Salamanque, Espagne, juin 2005,
  • Claude Leforestier,
    Water dimers and weakly interacting species in atmospheric modeling    ,
    «CECAM Workshop»,     Lyon, France, avril 2005,
  • Gérard Parlant,
    Utilisation de trajectoires Bohmiennes en dynamique quantique    ,
    «Fédération Lumière-Matière, 3eme Journée des Théoriciens»,     Orsay, France, 05 décembre 2005,
  • Fabien Gatti,
    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,

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