Sonstiges (Präsenzveranstaltung)
We organise a beginner's workshop into the computational chemistry simulation software ORCA with the experts of FACCTs for you!
When? Tuesday, 19.03.2024, 15:00 - 16:45
Where? CIP-Room, Department of Chemistry, University of Cologne
Program (with Anneke Dittmer)
15:00 Introduction
- Basic principles, ranging from molecular structures to spectra
- Quantum Chemistry with ORCA
15:45 Practical Part
- Setting up and starting calculations (energy, structure, MOs, IR and UVVis)
- Analyzing and interpreting the calculation results
- Q&A
17:00 Lecture "Your career in a quantum chemical startup?"
Afterwards cold beverages and pretzels
When? Tuesday, 19.03.2024, 15:00 - 16:45
Where? CIP-Room, Department of Chemistry, University of Cologne
Program (with Anneke Dittmer)
15:00 Introduction
- Basic principles, ranging from molecular structures to spectra
- Quantum Chemistry with ORCA
15:45 Practical Part
- Setting up and starting calculations (energy, structure, MOs, IR and UVVis)
- Analyzing and interpreting the calculation results
- Q&A
17:00 Lecture "Your career in a quantum chemical startup?"
Afterwards cold beverages and pretzels