Q-Chem workshop

Speaker: Q-Chem
Speaker Link: https://www.q-chem.com/
Time: 09-Feb-2023

Detailed schedule for the Q-Chem workshop

 
 
APPROXIMATE DURATION
TOPIC
PRESENTER
17:00-17:45 CET
Introduction to Q-Chem
Shirin Faraji
17:45-18:30 CET
Introduction to IQmol
Shannon Houck
18:30-19:30 CET
Density Functional Theory Overview Martin Head-Gordon
19:30-19:45 CET
Break
-
19:45-20:30 CET
Geometry Optimization in Q-Chem
Peter McLaughlin
20:30-21:15 CET Refreshment Break  
21:15-21:45 CET
Energy Decomposition Analysis Yuezhi Mao
21:45-22:30 CET
Spectral Analysis Techniques using DFT and TDDFT Martin Head-Gordon
22:30-22:45 CET
Break
-
22:45-23:15 CET
Solvent Models John Herbert
23:15-00:15 CET
Coupled-Cluster Methods for Excited States to Model Spectroscopy in UV/Vis & X-Ray Regimes Anna Krylov
00:15-0030 CET Break -
00:30-01:00 CET New Features in Q-Chem 6 Q-Chem Team
01:00-01:45 CET
Q&A Session
Q-Chem Team