Q-Chem 4.0 Workshop - Anaheim, CA

Q-Chem Workshop 2011

March 26, 2011
Anaheim, CA

 
Workshop Home Schedule Tutorial Place Registration

Schedule:

8:30

Welcome remarks, Prof. Peter Gill, Australian National University and President of Q-Chem

8:45 -9:15 

Prof. Peter Gill: "New ways of thinking about old problems"

9:15 -9:45

Prof. Anna Krylov, University of Southern California: "Unleashing QChem's arsenal of correlated and excited-state methods to understand Green Fluorescent Protein photocycle."

9:45 -10:15

Prof. Paul Ha-Yeon Cheong, Oregon State University: "Elucidation of the Mechanisms and Stereomechanics in Proline Sulfonamide Organocatalysis"

10:15-10:30

Coffee Break

10:30–11:00

Avogadro and QUI, Dr. Zhengting Gan

11:00-12:00

Tutorial I.  DFT optimization, vibration analysis, TS search, Dr. Yihan Shao

12:00– 1:00

 Lunch

1:00 – 1:30

Prof. Martin Head-Gordon, University of California at Berkeley: "Electronic structure of molecules with strongly correlated electrons: New methods and example applications"

1:30 – 2:00

Prof. John Herbert, Ohio State University: "New developments in 'polarizable continuum' implicit solvent models for QM, MM, and QM/MM applications"

2:00 – 2:30

Dr. Jing Kong, CEO and Chief Scientist of Q-Chem: "Unlimited possibilities: Overview of Q-Chem 4.0 Features"

2:30 – 2:45 

Coffee Break

2:45 – 3:30 

Tutorial II, MP2, CC, and excited states, Dr. Yihan Shao

3:30 – 4:15

Tutorial III, Intermolecular interactions, solvation effect, and QM/MM, Dr. Yihan Shao

4:15 – 4:30

Free discussion and concluding remarks, Dr. Jing Kong

 

 

 

 

 

 

 

 

 

 

 


 

 

 

 

 

 

 

Workshop Home Schedule Tutorial Place Registration

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