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
|