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
Financial Support
The Cooper Union for the Advancement of Science and Art is pleased to provide support for the 2024 VWSCC through a generous donation from Alan Fortier.
We thank Leibniz Institute for Catalysis (LIKAT) and CECAM for their support.
Virtual Winter School on Computational Chemistry
