ORCA 6.0.0 Release

The Program :

Thursday 25th of July 2024:

1st broadcast - 8.00 CEST:
Jul 25, 2024 08:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 1 - Eastern Timezones
https://eu02web.zoom-x.de/j/69192599613?pwd=G5knbRqiQAXvWMlyAXnwKrGjd0bCXQ.1
Passcode: 358118

and 2nd broadcast - 18.00 CEST:
Jul 25, 2024 06:00 PM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 1 - Western Timezones
https://eu02web.zoom-x.de/j/65542809770?pwd=bUB36thsKQPejsWENaKwTdEtAgPJYe.1
Passcode: 538844

Frank Neese (8.00/18.00 CEST, 90 minutes incl. Q&A)

Intro & Welcome
Architecture of ORCA 6
New Features and Benchmarks

- 30 minutes break -

Christoph Riplinger (10.00/20.00 CEST, 20 minutes incl. Q&A)
ORCA6: a next-generation software for real-world chemistry simulation

Bernardo De Souza (20 minutes incl. Q&A)
New ORCA optimizers: GOAT for Conformational Ensembles and Global Minima,
Docker for Optimal Intermolecular Interactions and
DeltaSCF for Excited State Convergence

Anneke Dittmer (20 minutes incl. Q&A)
Exploring Models for Environmental Effects:
From Explicit Solvation to Electrostatic Embedding of Crystals

Friday 26th of July 2024

1st broadcast - 8.00 CEST:
Jul 26, 2024 08:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 2 - Eastern Timezones
https://eu02web.zoom-x.de/j/69516585832?pwd=ECNFvG6TQTMXnwGr1aBphmAVgYvkDT.1
Passcode: 090768

and 2nd broadcast - 18.00 CEST:
Jul 26, 2024 06:00 PM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 2 - Western Timezones
https://eu02web.zoom-x.de/j/65489837349?pwd=OzJdqj7Z8CayAov43M57SNW3eWaRgS.1
Passcode: 830184

Dimitrios Liakos (8.00/18.00 CEST, 20 minutes incl. Q&A)
Versatile and Efficient Control over Complex ORCA Workflows: Compound

Miquel Garcia-Ratés (20 minutes incl. Q&A)
Solvation in ORCA - New Features

Stan Papadopoulos and Emily Kempfer (20 minutes incl. Q&A)
Automated Code Generation in ORCA:
From Ansatz to Correlation Gradients, Response Properties and More

- 30 minutes break -

Georgi Stoychev (9.30/19.30 CEST, 20 minutes incl. Q&A)
The Scalar Relativistic X2C Method in ORCA

Marcos Casanova (20 minutes incl. Q&A)
Recent Advances in Single-Reference, Excited-State Methods for Open-Shell Systems

Benjamin Helmich-Paris (20 minutes incl. Q&A)
New Features of CASSCF with ORCA -
CAS/NEVPT2, AVAS, TRAH and NTOs

- 30 minutes break -

Dimitrios Manganas & Nicolas Foglia (11.00/21.00 CEST 20 minutes incl. Q&A)
Spectroscopy in Orca 6.0: A Unified "Theoretical Optical Spectrometer"

Pauline Colinet & Petra Pikulova (20 minutes incl. Q&A)
Improving the Efficiency of Electrostatic Embedding with the Aid of the Fast Multipole Method
and Simulating Magnetic Properties with Quasi-Degenerate Perturbation Theory

Giovanni Bistoni (20 minutes incl. Q&A)
Energy Decomposition and Wavefunction Analysis with ORCA

When will the presentations start ??

Due to several requests we will try to broadcast so that almost every timezone will have
the chance to watch and participate. For this reason, there will be two broadcasts each day.

Thursday 25th of July :
Broadcast 1: start 8.00 CEST (CEST / UTC+2)
Broadcast 2 : start 18.00 CEST (CEST / UTC+2)

Friday 26th of July:
Broadcast 1: start 8.00 CEST (CEST / UTC+2)
Broadcast 2: start 18.00 CEST (CEST / UTC+2)

We will try to have our presenters ready to answer your questions after each talk in each broadcast, but please
understand that not every developer will be available at all times ;) Broadcast 1 should be convenient for the eastern timezones while Broadcast 2 should be convenient for the western timezones. After the release event on the 25th and 26th, all videos will be available online so you can re-watch them any time.