Q-Chem Workshop 2011
March 26, 2011
Anaheim, CA
|
| |
| |
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 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
Q-Chem is a trademark of Q-Chem, Inc. All rights reserved.