Schedule
18 September - Introduction
09.00 - 09.30: Welcome and introduction to the workshop
09.30 - 10.30: General aspects of electronic ground states
10.30 - 11.00: Coffee break
11.00 - 12.00: General aspects of electronic ground states (continued)
12.00 - 14.00: Lunch break
14.00 - 15.30: Introduction to Jupyter notebooks
15.30 - 16.00: Coffee break
16.00 - 17.00: Introduction to Jupyter notebooks (continued)
19 September - Ground state electronic structure
09.00 - 10.30: The Hartree–Fock method
10.30 - 11.00: Coffee break
11.00 - 12.00: The Hartree–Fock method (continued)
12.00 - 14.00: Lunch break
14.00 - 15.30: Density functional theory
15.30 - 16.00: Coffee break
16.00 - 17.00: Density functional theory (continued)
20 September - Exploring the potential energy surface
09.00 - 10.30: Structure optimization
10.30 - 11.00: Coffee break
11.00 - 12.00: Structure optimization (continued)
12.00 - 14.00: Lunch break
14.00 - 15.30: Constructing the potential energy surface by interpolation
15.30 - 16.00: Coffee break
16.00 - 17.00: Constructing the potential energy surface by interpolation (continued)
19:00 - 22.00: Dinner at Fabrica de Bere
21 September - Vibrational spectroscopy
09.00 - 10.30: Vibrational spectroscopy
10.30 - 11.00: Coffee break
11.00 - 12.00: Vibrational spectroscopy (continued)
12.00 - 22.00: Lunch break and free afternoon
22 September - Excited states and visualization
9.00 - 10.30: Time-dependent DFT
10.30 - 11.00: Coffee break
11.00 - 12.00: Time-dependent DFT (continued)
12.00 - 14.00: Lunch break
14.00 - 15.30: Visualization
15.30 - 16.00: Coffee break
16.00 - 17.00: Closing