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Mon. 22 | Tue. 23 | Wed. 24 | Thu. 25 | Fri. 26 | Sat. 27 | Sun. 28 | Mon. 29 | Tue. 30 | Wed. 31 | Thu. 01 | Fri. 02 |
09:00
10:00
11:00
12:00
13:00
14:00
15:00
16:00
17:00
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9:00 - 12:00 (3h)
Introduction to theoretical chemistry methods
![]() R. Vuilleumier Paris Cité Salle 357E Halles Aux Farines
14:00 - 17:00 (3h)
Static Analysis of Potential Energy Surfaces
![]() A. Moncomble Paris Cité Salle 357 E Halles aux Farines
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9:00 - 12:00 (3h)
Application of Hartree-Fock theory to core-level ionization process
![]() S. Carniato Salle 270F Halles Aux Farines
14:00 - 17:00 (3h)
Basis in Density Functional Theory
![]() C. Adamo Salle 270F Halles aux Farines
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9:00 - 12:00 (3h)
Introduction to classical molecular simulations #1
![]() A. Serva Paris Cité Lavoisier 774
14:00 - 17:00 (3h)
Introduction to classical molecular simulations #2
![]() A. Serva Paris Cité Lavoisier 774
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9:00 - 12:00 (3h)
Electronic Structure and Spectroscopies: methods, problems an madd some solutions
![]() M. Hochlaf Paris Cité Lavoisier 774
14:00 - 17:00 (3h)
CANCELED. Design and application of machine-learning potentials for accurate and efficient molecular dynamics simulations
![]() T. Plé Paris Cité Lavoisier 774
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9:00 - 12:00 (3h)
[MME] Dynamique moléculaire ab initio : méthodes et applications dans divers domaines (phase gazeuse, phase liquide, interfaces solide/liquide et liquide/air)
![]() M.-P. Gaigeot
9:00 - 12:00 (3h)
[SEDQA] TDDFT in action
![]() I. Ciofini
14:00 - 17:00 (3h)
Chimie Théorique et Centres de Calcul
![]() Thibaut Véry
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9:00 - 12:00 (3h)
Modeling periodic systems at atomic scale with quantum chemical methods.
![]() Mahamadou Seydou
14:00 - 17:00 (3h)
[MME] Dynamique moléculaire et champs de forces polarisables
![]() J.-P. Piquemal
14:00 - 17:00 (3h)
[SEDQA] Excited-state dynamics
![]() L. M. Ibele
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9:00 - 12:00 (3h)
[MME] Modélisation de la réactivité aux interfaces
![]() F. Labat
9:00 - 12:00 (3h)
[SEDQA] Topology : recovering classical concepts from quantum chemistry
![]() J. Contreras, P. Reinhardt
14:00 - 17:00 (3h)
[MME] Modeling photoactive systems with TDDFT
![]() A. Perrier-Pineau
14:00 - 17:00 (3h)
[SEDQA] Dynamique quantique avec la méthode Multiconfigurational Time-Dependent Hartree (MCTDH)
![]() D. Pelaez Ruiz
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9:00 - 12:00 (3h)
[MME] Hybrid QM/QM’ or QM/MM methodologies
![]() E. Derat
9:00 - 12:00 (3h)
[SEDQA] Relativistic effects in quantum chemistry
![]() V. Vallet
14:00 - 17:00 (3h)
[MME] Multi-scale methods for molecular simulations of cellular environments
![]() S. Sacquin-Mora, F. Sterpone
14:00 - 17:00 (3h)
[SEDQA] Réactivité uni-moléculaire : cinétique et dynamique
![]() R. Spezia
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9:00 - 12:00 (3h)
[MME] VASP workshop
![]() A. Gouveia, M. Calatayud
9:00 - 12:00 (3h)
CANCELED[SEDQA] Théorie Valence Bond pour la structure électronique et la réactivité
![]() B. Braïda
14:00 - 17:00 (3h)
[MME] Comment estimer les potentiels redox de cations dans les protéines par simulation numérique ?
![]() A. de la Lande
14:00 - 17:00 (3h)
[SEDQA] The role and assessment of intermolecular interactions in systems derived from biomineralization and biomaterials
![]() F. Tielens
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9:30 - 12:00 (2h30)
Présentation d’industriels, échanges
![]() P. Ghesquiere
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