Friday, March 17, 2006 |
| 6:00 p.m. |
Networking Reception, Vendor Poster Session, and Registration |
Tesuque Pavilion |
| 9:30 p.m. |
Adjourn |
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Saturday, March 18, 2006 |
| 7:30 a.m. |
Working Breakfast to allow participants to showcase and discuss their work for the day's meeting
|
Tesuque Pavilion |
| 8:20 a.m. |
Welcome (R.J. Harrison)
|
Tesuque Pavilion |
| |
A.Wagner (Chair) |
|
| 8:30 a.m. |
W. Goddard, III (P) |
Tesuque Pavilion Conference Center |
| 9:15 a.m. |
G. Schatz
"Using quantum chemistry to calculate SES spectra" |
Tesuque Pavilion Conference Center |
| 9:45 a.m. |
J. Bowman
"Ab initio potential energy surfaces dynamics for 4, 5, 6, and 7-atom molecules." |
Tesuque Pavilion Conference Center |
| 10:15 a.m. |
Break
|
Tesuque Pavilion |
| |
A. Beste (Chair)
|
|
| 10:45 a.m. |
R.J. Hinde
"Vibrational dynamics in H2 aggregates: from the van der Waals dimer to solid pa" |
Tesuque Pavilion Conference Center |
| 11:15 a.m. |
L. Pederson
"The energy profile for correct nucleotide insertion of polymerase beta" |
Tesuque Pavilion Conference Center |
| 11:45 a.m. |
M. Gordon |
Tesuque Pavilion Conference Center |
| 12:15 p.m. |
Group Photo
|
|
| 12:30 p.m. |
Working Lunch with Open Forum Discussions (catered)
|
Restaurant: Main Dining Room |
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R. Kendall (Chair)
|
|
| 1:30 p.m. |
S. Xantheas (P) |
Tesuque Pavilion Conference Center |
| 2:15 p.m. |
R. Shepard
"A New Nonlinear Wave Function Expansion Form" |
Tesuque Pavilion Conference Center |
| 2:45 p.m. |
D. Sherrill
"Energy Landscapes from Pi-Stacking to Bond-Breaking" |
Tesuque Pavilion Conference Center |
| 3:15 p.m. |
Break
|
|
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R. Bair (Chair)
|
|
| 3:30 p.m. |
A Mavridis |
Tesuque Pavilion Conference Center |
| 4:00 p.m. |
T. van Mourik
"The gas-phase structure of small peptides" |
|
| 4:30 p.m. |
W. Yang
"Self-Interaction Free-Exchange Correlation Energy Functional for Thermodynamics" |
|
| 5:00 p.m. |
Dinner (on own) |
|
| 7:00 p.m. |
Poster Reception
|
Thunderbird/El Charo |
| 9:30 p.m. |
Adjourn
|
|
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Sunday, March 19, 2006 |
| 7:30 a.m. |
Working Breakfast to allow participants to showcase and discuss their work for the day's meeting |
Tesuque Pavilion |
| |
J. Nichols (Chair)
|
|
| 8:30 a.m. |
H.F. Schaefer, III (P) |
Tesuque Pavilion Conference Center |
| 9:15 a.m. |
K. Peterson |
Tesuque Pavilion Conference Center |
| 9:45 a.m. |
R. Pitzer
"The Dunning Influence on Relativistic Quantum Chemistry" |
|
| 10:15 a.m. |
Break
|
Tesuque Pavilion |
| |
R. Eades (Chair)
|
|
| 10:45 a.m. |
P.J. Hay
Theoretical Challenges in Inorganic and Organometallic Chemistry |
Tesuque Pavilion Conference Center |
| 11:15 a.m. |
L. Pratt |
Tesuque Pavilion Conference Center |
| 11:45 a.m. |
D.A. Dixon
"Computational Quantum Chemistry: Applications to Catalysis and Hydrogen Storage" |
|
| 12:15 p.m. |
Lunch on your own |
|
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D. Feller (Chair) |
|
| 1:15 p.m. |
Discussions
|
Tesuque Pavilion Conference Center |
| 4:15 p.m. |
K. Morokuma (P)
"Tight BindiDensity Functionalng Method and Its Applications to Nanostructure an" |
Tesuque Pavilion Conference Center |
| 5:00 p.m. |
M. Dupuis |
Tesuque Pavilion Conference Center |
| 5:30 p.m. |
G. Petersson
"A Complete Basis Set Model for Excited States" |
Tesuque Pavilion Conference Center |
| 7:00 p.m. |
Banquet - Carl Melius
“Quantum Alchemy in the Land of the Lord of the Rings: The Top Honcho of Mechanics” |
Tesuque Pavilion Conference Center |
| |
Monday, March 20, 2006 |
| 7:30 a.m. |
Working Breakfast to allow participants to showcase and discuss their work for the day's meeting
|
Tesuque Pavilion |
| |
Al. Kalemos (Chair)
|
|
| 8:30 a.m. |
T.H. Dunning (P) |
Tesuque Pavilion |
| 9:15 a.m. |
A. Wilson
"Correlation Consistent Basis Sets: Toward Quantitative Accuracy" |
Tesuque Pavilion Conference Center |
| 9:45 a.m. |
B. Garrett |
Tesuque Pavilion Conference Center |
| 10:15 a.m. |
Mid-morning Break
|
Tesuque Pavilion |
| |
T. Windus (Chair)
|
|
| 10:45 a.m. |
L. Harding
"Radical-Radical Combination Reactions" |
Tesuque Pavilion Conference Center |
| 11:15 a.m. |
C. Melius |
Tesuque Pavilion Conference Center |
| 11:45 a.m. |
E. Valeev
"Linear F12 Methods: Towards The Universal Two-Particle Basis" |
Tesuque Pavilion Conference Center |
| 12:15 a.m. |
Adjourn |
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