ORCA 6.1 Release Event

The release will be accompanied with an online release event (ZOOM Webinar) with an introduction by Frank Neese, feature outlines and updates from the FACCTS company and the ORCA internal and external developers.

Here is the preliminary program - note that all times are CEST !

12:00 Frank Neese Welcome to ORCA 6.1

12:45 Hang Xu Generated Coupled Cluster Energies and Properties

13:05 Petra Pikulova Analytical Raman Intensities

13:25 - Coffee Break -

14:00 Yorick Schmerwitz New Features in DeltaSCF

14:20 Lukas Wittmann Improved Solvation Effects with DRACO

14:40 Martin Brehm News in the MD Module

15:00 Giovanni Bistoni New LED Features in ORCA 6.1

15:20 - Tea Break -

15:50 Christoph Riplinger Enhanced Usability in ORCA 6.1

16:15 Nicolas Foglia New Fragmentation Setup for ORCA 6.1

16:35 Bernardo de Souza New GOAT and DOCKER Features

16:55 Hagen Neugebauer ORCA Meets Python and Neural Networks

17:15 - Hot Chocolate Break -

17:50 Benjamin Helmich-Paris Novel Methods in ORCA 6.1 – CAS-DFT and more

18:10 Emily Kempfer Improvements in MRPT - NEVPT4 and

ICE-NEVPT2

18:30 Shashank Rao Calculating Magnetic Relaxation Phenomena – MagRelax

18:50 - THE END -

The webinar will feature Q&A slots after every talk and the link for the webinar will be made available soon.

The new ORCA 6.1 version will be available for download in the forum after the release event

- looking forward to seeing you !!

The ORCA developers

Here is the link for the ZOOM Webinar :

When: Jun 17, 2025 12:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna

Topic: ORCA 6.1 Release Event

https://eu02web.zoom-x.de/j/68153270207?pwd=g9cZfX0KqzNgf2RRO7ibKGDBxAi3yb.1

Passcode:297206