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ORCA-Workshop by FACCTs

Sonstiges (Präsenzveranstaltung)

ORCA-Workshop by FACCTs

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

Dienstag, 19. März 2024

14:00 – 17:00
Workshop registratio

Dienstag, 19. März 2024

14:00 – 17:00
Workshop registratio