Planning
| Time |
Event |
(+)
|
|
17:00 - 20:00
|
Welcome Desk - Welcome Desk and Keys |
|
| Time |
Event |
(+)
|
|
09:00 - 10:30
|
Introduction to Jupyter Notebooks (Espace Pouillon) |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:30
|
Hartree–Fock (1) (Espace Pouillon) |
|
|
12:30 - 14:00
|
Lunch (Espace Pouillon) |
|
|
14:00 - 15:00
|
Hartree-Fock (2) (Espace Pouillon) |
|
|
15:00 - 16:00
|
Density Functional Theory (1) (Espace Pouillon) |
|
|
16:00 - 16:30
|
Coffee break (Espace Pouillon) |
|
|
16:30 - 17:30
|
Density Functional Theory (2) (Espace Pouillon) |
|
|
19:00 - 22:30
|
Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:30
|
Electronic correlation, 2-particles density (Espace Pouillon) |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:30
|
MCSCF (Espace Pouillon) |
|
|
12:30 - 14:00
|
Lunch |
|
|
14:00 - 16:00
|
Structure optimization and vibrational spectroscopy (1) (Espace Pouillon) |
|
|
16:00 - 16:30
|
Coffee break (Espace Pouillon) |
|
|
16:30 - 17:30
|
Structure optimization and vibrational spectroscopy (2) (Espace Pouillon) |
|
|
17:30 - 22:30
|
Free Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:30
|
Force fields and re-parametrization (Espace Pouillon) |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:30
|
Conformational search, QM/MM, environment (Espace Pouillon) |
|
|
12:30 - 14:00
|
Lunch |
|
|
14:00 - 15:30
|
Force Fields parametrization with Neural Network Potentials (Espace Pouillon) |
|
|
15:30 - 16:00
|
Coffee break |
|
|
16:00 - 17:30
|
Free energy sampling methods (Espace Pouillon) |
|
|
19:00 - 22:30
|
School Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:30
|
Introductin to aromaticity: NICS(1), IMS2D, IMS3D (Espace Pouillon) |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:30
|
Introductin to aromaticity: NICS(1), IMS2D, IMS3D (Espace Pouillon) |
|
|
12:30 - 22:30
|
Free afternoon and Free Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:30
|
Introduction to electronic spectroscopies, UV-Vis, ECD (Espace Pouillon) |
|
|
10:30 - 11:00
|
Coffee break |
|
|
11:00 - 12:30
|
Conformationally averaged spectra (Espace Pouillon) |
|
|
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