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Wednesday, January 8, 2020
| Time | Event | |
| 13:00 - 13:45 | Welcome with coffee and refreshments (LILIAD espace evenementiel ) | |
| 13:45 - 14:15 | Kick-off (LILIAD Amphi B) | |
| 14:15 - 15:15 | Quantum N-body problem in theoretical chemistry (LILIAD Amphi B) - Emmanuel Fromager | |
| 14:15 - 15:15 | › Le problème quantique à N-corps en chimie théorique - Michel Caffarel, Lab. Chimie et Physique Quantiques | |
| 15:15 - 15:35 | Short presentation(s) (LILIAD Amphi B) - Emmanuel Fromager | |
| 15:15 - 15:35 | › Overview of selected configuration interaction and its coupling with DFT - Emmanuel Giner, Laboratoire de Chimie Théorique | |
| 15:50 - 16:30 | Coffee break (LILIAD espace evenementiel ) | |
| 16:30 - 17:30 | Quantum N-body problem in condensed matter physics (LILIAD Amphi B) - Emmanuel Fromager | |
| 16:30 - 17:30 | › Quantum N-body problem in condensed matter physics - Pina Romaniello, Laboratoire de Physique Théorique - IRSAMC | |
| 17:30 - 17:50 | Short presentation(s) (LILIAD Amphi B) - Emmanuel Fromager | |
| 17:30 - 17:50 | › The Quantum Many-Body Problem from a Dynamical Mean Field Perspective - Silke Biermann, Centre de Physique Théorique [Palaiseau] | |
| 17:50 - 19:30 | Poster session (LILIAD espace evenementiel ) | |
| 17:50 - 19:30 | › Analysis of self-consistent field and direct minimization algorithms for electronic structure - Gaspard Kemlin, CERMICS | |
| 17:50 - 19:30 | › Automatic computation of global intermolecular potential energy surfaces for non-covalently bound systems - Ramon Lorenzo PANADES-BARRUETA, Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM), Unité Mixte de Recherche (UMR) 8523, Université de Lille, Bât. P5, Villeneuve d'Ascq Cedex | |
| 17:50 - 19:30 | › Calculation of effective interaction among different electronic shell using cRPA in ABINIT - Robinson Outerovitch, CEA, DAM, DIF, F-91297 Arpajon, France | |
| 17:50 - 19:30 | › Direct nonadiabatic quantum dynamics in the moving crude adiabatic representation - Loic Joubert-Doriol, Université Paris-Est Marne-la-Vallée | |
| 17:50 - 19:30 | › Exploration of the Core Valence Separation approximation to obtain the ionization potentials of the core electrons by the EOM-CCSD method according to a 4-component relativistic approach - Loïc Halbert, Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 | |
| 17:50 - 19:30 | › Molecule-fixed axes in many-body Hamiltonians - Mirjana Mladenovic, Laboratoire de Modélisation et Simulation Multi Echelle | |
| 17:50 - 19:30 | › New Hohenberg-Kohn theorems - Louis Garrigue, CEntre de REcherches en MAthématiques de la DEcision | |
| 17:50 - 19:30 | › Nuclear quantum effects in protonated water clusters - Michele Casula, Institut de minéralogie, de physique des matériaux et de cosmochimie | |
| 17:50 - 19:30 | › Quantum motion of small molecular hydrogen clusters confined by carbon nanostructures - Alexander Mitrushchenkov, Laboratoire MSME | |
| 17:50 - 19:30 | › Relativistic range-separated density functional theory - Julien PAQUIER, Laboratoire de chimie théorique | |
| 17:50 - 19:30 | › Representing continuum wave functions with complex Gaussian functions - Abdallah AMMAR, LPCT, UMR 7019 - Arnaud Leclerc, LPCT, UMR 7019 - Lorenzo Ugo Ancarani, LPCT, UMR 7019 | |
| 17:50 - 19:30 | › Stochastic treatment of electronic dissipation on top of a mean-field approach. - Phuong Mai Dinh, Laboratoire de Physique Théorique de Toulouse | |
| 17:50 - 19:30 | › Theoretical approach for simulating single photon double core ionization of small molecules - Anthony Ferté, Laboratoire de Chimie Physique - Matière et Rayonnement | |
| 17:50 - 19:30 | › Theoretical core spectroscopy of molecules interacting with ice surfaces - Richard Asamoah Opoku, University of Lille | |
| 17:50 - 19:30 | › Unitary Group Adapted Iterative Configuration Expansion(ICE): Implementation and Applications - Vijay gopal CHILKURI, Max-Planck-Institut für Kohlenforschung (coal research) |
Thursday, January 9, 2020
| Time | Event | |
| 09:10 - 10:30 | Short presentation(s) (LILIAD Amphi B) - Julien Toulouse | |
| 09:10 - 09:30 | › N-centered ensemble density-functional theory for open systems - Emmanuel Fromager, Laboratoire de Chimie Quantique, Institut de Chimie de Strasbourg | |
| 09:30 - 09:50 | › Progress in time-dependent density functional theory for excited states - Miquel Huix-Rotllant, Institut de Chimie Radicalaire, CNRS - Aix-Marseille Université | |
| 09:50 - 10:10 | › From pseudopotentials for the cemical environment to challanges in the computational treatment of catalysis - Paola Nava, Institut des Sciences Moléculaires de Marseille, UMR7313 | |
| 10:10 - 10:30 | › Simulating molecular properties on a quantum computer - Bruno SENJEAN, Instituut-Lorentz, Universiteit Leiden, P.O. Box 9506, 2300 RA Leiden, The Netherlands | |
| 10:30 - 11:00 | Coffee break (LILIAD espace evenementiel ) | |
| 11:00 - 12:00 | Quantum N-body problem in mathematics (LILIAD Amphi B) - Julien Toulouse | |
| 11:00 - 12:00 | › Problème quantique à N-corps en mathématiques - Mathieu Lewin, CEntre de REcherches en MAthématiques de la DEcision | |
| 12:00 - 12:20 | Short presentation(s) (LILIAD Amphi B) - Julien Toulouse | |
| 12:00 - 12:20 | › Using the density-functional toolkit (DFTK) to investigate floating-point error and improve SCF convergence in density-functional theory - Michael Herbst, CERMICS | |
| 12:20 - 13:50 | Lunch (LILIAD espace evenementiel ) | |
| 13:10 - 13:40 | Reunion bureau GDR (LILIAD Amphi B) | |
| 13:50 - 14:50 | Quantum N-body problem in nuclear physics (LILIAD Amphi B) - Marcella Grasso | |
| 13:50 - 14:50 | › Le problème quantique à N-corps en physique nucléaire - Thomas Duguet, cea saclay Irfu/DPHN | |
| 14:50 - 15:30 | Short presentation(s) (LILIAD Amphi B) - Marcella Grasso | |
| 14:50 - 15:10 | › Embedding nuclear physics inside the unitary-limit window - Mario Gattobigio, Institut de Physique de Nice, CNRS, Universite Cote d'Azur | |
| 15:10 - 15:30 | › Insights into chemiluminescence from ab initio molecular dynamics simulations and machine learning analysis - Morgane Vacher, Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation | |
| 15:30 - 16:00 | Coffee break (LILIAD espace evenementiel ) | |
| 16:00 - 17:00 | Short presentation(s) (LILIAD Amphi B) - Pierre-François Loos | |
| 16:00 - 16:20 | › On the Road to the Modeling of Resonance UV/vis Spectroscopic Properties - Éric BRÉMOND, Université de Paris | |
| 16:20 - 16:40 | › La boite à outils de l'algèbre extérieure pour le problème à N-corps fermionique - Patrick Cassam-Chenaï, Université Côte d'Azur | |
| 16:40 - 17:00 | › DFT-based exchange vertex for the correlation energy and excited states - Maria Hellgren, Institut de minéralogie, de physique des matériaux et de cosmochimie | |
| 17:00 - 17:20 | Break (LILIAD espace evenementiel ) | |
| 17:20 - 18:00 | Short presentation(s) (LILIAD Amphi B) - Pierre-François Loos | |
| 17:20 - 17:40 | › Playing with the reduced density-matrix: representability, functionals and embedding - Matthieu Saubanère, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier | |
| 17:40 - 18:00 | › New theoretical approaches to describe single- and multi-photon processes in atoms and molecules - Eleonora Luppi, Sorbonne Université | |
| 19:30 - 23:55 | Conference dinner - Lille city center |
Friday, January 10, 2020
| Time | Event | |
| 09:10 - 10:30 | Short presentation(s) (LILIAD Amphi B) - Maria Hellgren | |
| 09:10 - 09:30 | › Dynamics of electrons and nuclei in molecules: Beyond the Born-Oppenheimer approximation - Federica Agostini, Laboratoire de Chimie Physique, UMR 8000 CNRS/University Paris-Sud, University Paris-Saclay | |
| 09:30 - 09:50 | › Striking many-body effects in a simple oxide: the B2O3 case - Guillaume Ferlat, Université Pierre et Marie Curie - Paris 6 | |
| 09:50 - 10:10 | › Excitations of correlated nucleons within the second random-phase approximation - Marcella Grasso, IPN Orsay | |
| 10:10 - 10:30 | › ANALYTICITY AND hp DISCONTINUOUS GALERKIN APPROXIMATION OF NONLINEAR SCHRÖDINGER EIGENPROBLEMS - Yvon Maday, Laboratoire Jacques-Louis Lions, Institut Universitaire de France | |
| 10:30 - 11:00 | Coffee break (LILIAD espace evenementiel ) | |
| 11:00 - 12:00 | Short presentation(s) (LILIAD Amphi B) - Paola Nava | |
| 11:00 - 11:20 | › IONIZATION PROCESSES OF ATOMS AND MOLECULES: A STURMIAN APPROACH - Ugo Ancarani, Laboratoire de Physique et Chimie Théoriques | |
| 11:20 - 11:40 | › Molecular Density Functional Theory and its coupling with the N body quantum problem - Guillaume Jeanmairet, Réseau sur le stockage électrochimique de l'énergie, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX | |
| 11:40 - 12:00 | › Relativistic equation of motion coupled cluster theory - André Severo Pereira Gomes, Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 | |
| 12:00 - 12:20 | Discussions (LILIAD Amphi B) | |
| 12:20 - 13:00 | Lunch buffet (LILIAD espace evenementiel ) |
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