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Schedule
Sunday 24 September - Welcome reception
18.00 - 22.00: Welcome reception and registration (University Hotel)
Monday 25 September - Introduction
09.00 - 09.30: 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)
Tuesday 26 September - Electronic structure of the ground state
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)
Wednesday 27 September - Electron correlation
09.00 - 10.30: Møller-Plesset perturbation theory
10.30 - 11.00: Coffee break
11.00 - 12.00: Møller-Plesset perturbation theory (continued)
12.00 - 14.00: Lunch break
14.00 - 19.00: BETS - Bridging experiment and theory in spectroscopy (Institute of Physics)
The session will be chaired by Dr. Robert Zaleśny,
Wrocław University of Science and Technology, Poland.
1. Linear and nonlinear spectroscopy of metalloorganic and ordered systems:
- Paweł Tecmer
- Joanna Olesiak-Bańska
- Jan Zaręba
2. Electronic emission spectra
- Daniel Escudero
- Borys Ośmiałowski
Thursday 28 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: Force fields and molecular dynamics
15.30 - 16.00: Coffee break
16.00 - 17.00: Force fields and molecular dynamics (continued)
Friday 29 September - Visualization
09.00 - 10.00: Visual analysis of electronic transitions
10.00 - 10.30: Coffee break
10.30 - 11.30: Visual analysis of molecular dynamics
11.30 - 12.00: Closing