Program

The summer school will start on Sunday 22/9 and will close on the afternoon/evening of Saturady 28/9.
A preliminary program is provided below.

Download: Program Summer School 2024 (.pdf)

SUNDAY 22/9
12:00 - 13:30 Registration
13:30 - 14:00 Welcome
14:00 - 15:30 Introduction to Computational Chemistry (Dimitrios Pantazis)
15:30 - 16:00 Coffee Break
16:00 - 18:30 Introduction to ORCA (Frank Wennmohs) & ORCA practical
18:30 - 21:00 Dinner and welcome reception

MONDAY 23/9
09:00 - 10:30   Group Theory (Serena DeBeer)
10:30 - 11:00   Coffee break
11:00 - 12:30   Ligand Field Theory (Serena DeBeer)
12:30 - 14:00   Lunch
14:00 - 16:30   Optical Spectroscopy (Frank Neese)
16:30 - 17:00   Coffee break
17:00 - 18:00   X-ray Spectroscopy (Serena DeBeer)
18:30 - 21:00   Dinner & Poster Session

TUESDAY 24/9
09:00 - 10:30   Vibrational Spectroscopy (Maurice van Gastel)
10:30 - 11:00   Coffee break
11:00 - 12:30   Practical: Vibrational spectroscopy (Maurice van Gastel)
12:30 - 14:00   Lunch
14:00 - 14:45   Practical: Excited State Spectroscopy
15:00 - 18:30   Practical (continued) and Facility Tours in Small Groups: Raman, UV-Vis RFQ/Stopped Flow, and X-ray Labs
18:30 - 21:00   Dinner and Poster Session

WEDNESDAY 25/9
09:00 - 10:30   Spin Hamiltonians (Frank Neese)
10:30 - 11:00   Coffee break
11:00 - 12:30   Magnetochemistry (Daniel SantaLucia)
12:30 - 14:00   Lunch
14:00 - 15:30   EPR Spectroscopy (Alexander Schnegg)
15:30 - 16:00   Coffee break
16:00 - 18:00   Practical: Magnetochemistry (Daniel SantaLucia)
18:30 - 19:30   Dinner

THURSDAY 26/9
09:00 - 10:30   Practical: Simulation of EPR spectra (Alexander Schnegg & George Cutsail)
10:30 - 11:00   Coffee break
11:00 - 12:30   Practical: EPR calculations (Dimitrios Pantazis)
12:30 - 14:00   Lunch
14:00 - 15:00   MCD Spectroscopy (Frank Neese)
15:00 - 15:15   Coffee break
15:15 - 16:15   Mössbauer Spectroscopy (Daniel SantaLucia)
16:15 - 16:30   Coffee break
16:30 - 18:30   Practical: Mössbauer Spectroscopy (Daniel SantaLucia)
18:30 - 19:30   Dinner

FRIDAY 28/9
09:00 - 11:30   Facility Tours in Small Groups: SQUID/MCD/Mössbauer, and EPR Labs
11:30 - 12:30   Open Q & A Session
12:30 - 13:00   Survey
13:00 - 14:30   Lunch

15:00               Start of the Eckhard Bill Symposium

SATURDAY 29/9
Eckhard Bill Symposium (Part of the Summer School)
Detailed program will be announced soon.

• Introduction to Computational Chemistry
• Introduction to ORCA
• Group Theory
• Ligand Field Theory
• Optical Spectroscopy
• X-ray Spectroscopy
• Vibrational Spectroscopy
• Spin Hamiltonians
• Magnetochemistry
• EPR Spectroscopy
• MCD Spectroscopy
• Mössbauer Spectroscopy