Virtual Winter School on Computational Chemistry
Detailed schedule for the Q-Chem workshop
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APPROXIMATE DURATION
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TOPIC
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PRESENTER
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17:00-17:45 CET
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Introduction to Q-Chem
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Shirin Faraji |
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17:45-18:30 CET
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Introduction to IQmol
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Shannon Houck |
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18:30-19:30 CET
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Density Functional Theory Overview | Martin Head-Gordon |
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19:30-19:45 CET
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Break |
-
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19:45-20:30 CET
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Geometry Optimization in Q-Chem |
Peter McLaughlin
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| 20:30-21:15 CET | Refreshment Break | |
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21:15-21:45 CET
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Energy Decomposition Analysis | Yuezhi Mao |
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21:45-22:30 CET
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Spectral Analysis Techniques using DFT and TDDFT | Martin Head-Gordon |
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22:30-22:45 CET
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Break |
-
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22:45-23:15 CET
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Solvent Models | John Herbert |
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23:15-00:15 CET
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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 |
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01:00-01:45 CET
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Q&A Session
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Q-Chem Team
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