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,