All software for the workshop can be downloaded from the ORCA forum. Registration is required.
Before participating in the workshop, if you are new to ORCA, it is recommended that you read this introductory guide. The guide contains information on installing ORCA as well as running your first calculations.
A timetable for the workshop can be found below:
14:30 Introduction - F. Neese
14:45 Locating Transition States - I. Harden
15:40 - Break -
15:50 Simulating NMR Spectra in ORCA - A. Auer
16:30 - Break -
16:40 Multiscale Simulations in ORCA - C. Riplinger
17:30 - Workshop ends -
Locating Transition States - Igor Harden
Simulating NMR Spectra in ORCA - Alexander Auer
Multiscale Simulations in ORCA - Christoph Riplinger