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4th ORCA User Meeting (No replies)

AAauer
7 days ago
AAauer 7 days ago

he 4th Users Meeting is coming up, and registration will open soon. By now, we
have the preliminary program !
This is what awaits you if you would attend the three day workshop :

Day I :
12:00 - 13:00 Arrival, Coffee
13:30 - 14:00 Welcome
14:00 - 14:30 Short Lecture - Getting started with ORCA 4.0
14:30 - 16:00 Tutorial I - Geometries, transition states, frequencies
16:00 - 16:30 Coffee break
16:30 - 17:00 Short Lecture - Core level spectroscopy
17:00 - 17:30 Short Lecture - Visualization with ORCA and Avogadro

Day II:
09:00 - 09:45 Long Lecture - DLPNO, latest developments
09:45 - 11:15 Tutorial II - LED and electronic structure analysis
11:15 - 11:45 Coffee break
11:45 - 12:15 Short Lecture - Modelling solids using ORCA
12:15 - 12:45 Short Lecture - Ab Initio ligand field theory
13:00 - 14:30 Group photo and Lunch break
14:45 - 15:15 Short Lecture - Solvation methods in ORCA
15:30 - 17:00 Tutorial III - EPR spectroscopy
17:00 - 17:30 Coffee break
17:30 - 19:00 Tutorial IV - NMR
19:00 - 22:00 Dinner, Poster session

Day II :
09:00 - 09:30 Short Lecture - Optical spectroscopy
09:30 - 11:00 Tutorial V - CAS tutorial
11:00 - 11:30 Coffee break
11:30 - 13:00 Tutorial VI - Treating transition metals
13:00 Farewell

The meeting is aimed at ORCA beginners as well as experienced users that
want to improve on their in-depth knowledge about theory and algorithms.
The tutorials will he hands-on courses in which we go through exercises and discuss
examples from current research. The short lectures are held to provide an overview
over a certain topic and the longer lectures give more on the theory background in
addition. Make sure to book you hotel early enough !

Find all the details at : https://www.kofo.mpg.de/symposia/orca-2018




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Ab initio (from electronic structure) calculation of complex processes in materials