Planning
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 |
|
| 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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