Planning
| Time |
Event |
(+)
|
|
10:00 - 12:00
|
Introduction to theoretical chemistry methods (774 Lavoisier UPCité) - A. Monari & D. Lauvergnat |
|
|
14:00 - 17:00
|
Application of Hartree-Fock theory to core-level ionization process (774 Lavoisier UPCité) - S. Carniato |
|
Tuesday, January 27, 2026
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
Basis in Density Functional Theory (130 Lavoisier UPCité) - C. Adamo |
|
|
14:00 - 17:00
|
Electronic Structure and Spectroscopies: ... (774 Lavoisier UPCité) - M. Hochlaf |
|
Wednesday, January 28, 2026
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
Introduction to classical molecular simulations #1 (774 Lavoisier UPCité) - A. Serva |
|
|
14:00 - 17:00
|
Introduction to classical molecular simulations #2 (774 Lavoisier UPCité) - A. Serva |
|
Thursday, January 29, 2026
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
Modeling periodic systems at atomic scale with quantum chemical methods (774 Lavoisier UPCité) - M. Seydou |
|
|
14:00 - 17:00
|
Static Analysis of Potential Energy Surfaces (774 Lavoisier UPCité) - A. Moncomble |
|
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
[MME] Multi-scale methods for molecular simulations of cellular environments (192 Lavoisier UPCité) - F. Sterpone, S. Sacquin Mora |
|
|
09:00 - 12:00
|
[SEDQA]TD-DFT in action (210 Lavoisier UPCité) - I. Ciofini |
|
|
14:00 - 17:00
|
[MME] Modeling photoactive systems with TDDFT (210 Lavoisier UPCité) - A. Perrier-Pineau |
|
|
14:00 - 17:00
|
[SEDQA] Topology : recovering classical concepts from quantum chemistry (192 Lavoisier UPCité) - J. Contreras Garcia, P. Reinhardt |
|
Saturday, January 31, 2026
| Time |
Event |
(+)
|
|
07:00 - 23:55
|
Break |
|
| Time |
Event |
(+)
|
|
07:00 - 23:55
|
Break |
|
| Time |
Event |
(+)
|
|
10:00 - 12:00
|
[SEDQA] Quantum dynamic with Multiconfigurational Time-Dependent Hartree (MCTDH) Method (192 Lavoisier UPCité) - D. Peláez Ruiz |
|
|
13:30 - 17:30
|
[SEDQA] Quantum dynamic with Multiconfigurational Time-Dependent Hartree (MCTDH) Method (192 Lavoisier UPCité) - D. Peláez Ruiz |
|
Tuesday, February 3, 2026
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
[MME] Advanced force fields for molecular simulations (ChimieParisTech-4) - E. Duboué-Dijon |
|
|
09:00 - 12:00
|
[SEDQA] Theory of reaction kinetics and dynamics (192 Lavoisier UPCité) - R. Spezia |
|
|
13:30 - 15:30
|
[SEDQA] Excited-state dynamics (192 Lavoisier UPCité) - F. Agostini |
|
|
14:00 - 17:00
|
[MME] Hybrid QM/QM’ or QM/MM methodologies (ChimieParisTech-4) - E. Derat |
|
Wednesday, February 4, 2026
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
[MME] Modeling redox potentials of cations in proteins (ChimieParisTech-Chaudron) - A. de la Lande |
|
|
10:00 - 12:00
|
[SEDQA] Valence Bond Theory (192 Lavoisier UPCité) - B. Braïda |
|
|
14:00 - 17:00
|
[MME] Modeling interface reactivity (ChimieParisTech-Chaudron) - F. Labat |
|
|
14:00 - 17:00
|
[SEDQA] Valence Bond Theory (192 Lavoisier UPCité) - B. Braïda |
|
Thursday, February 5, 2026
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
Machine Learning Potentials in Chemistry (774 Lavoisier UPCité) - T. Plé |
|
|
14:00 - 17:00
|
[MME] The role and assessment of intermolecular interactions in systems derived from biomineralization and biomaterials (192 Lavoisier UPCité) - F. Tielens |
|
|
14:00 - 17:00
|
[SEDQA] Relativistic effects in quantum chemistry (774 Lavoisier UPCité) - V. Vallet |
|
| Time |
Event |
(+)
|
|
09:00 - 12:00
|
[MME] Topological graphs in MD simulations and LLM machine learning for vibrational spectroscopies (ParisSaclay-ICP-Magat) - M.-P. Gaigeot |
|
|
14:00 - 17:00
|
Chimie Théorique et Centres de Calcul (ParisSaclay-IDRIS) - T. Véry |
|
|
