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Conference Program

Click here for poster session schedules.

Friday, November 3

 

  7:30 – 9:00

Continental Breakfast

 

  8:00 – 12:00

Registration

 

  9:00 – 9:30

Opening Ceremony

 

  9:30 – 10:30

1st Session (S1)

Schaefer Lecture

10:30 – 10:40

Group photo

 

10:40 – 11:10

Coffee Break

 

11:10 – 12:40

2nd Session (S2)

2 Talks

12:40 – 2:15

Lunch

 

  2:15 – 4:30

3rd Session (S3)

3 Talks

  4:30 – 5:00

Coffee Break

 

  5:00 – 7:00

First Poster Session (P1)

 

  7:00 – 10:00

Dinner

 

Saturday, November 4

 

  8:00 – 9:00

Continental Breakfast

 

  8:30 – 11:00

Registration

 

  9:00 – 10:30

4th Session (S4)

2 Talks

10:30 – 11:00

Coffee Break

 

11:00 – 1:00

Second Poster Session (P2)

 

  1:00 – 2:00

Lunch

 

  2:00 – 3:30

5th Session (S5)

2 Talks

  3:30 – 4:00

Coffee Break

 

  4:00 – 5:30

6th Session (S6)

2 Talks

  5:30 – 7:30

Third Poster Session (P3)

 

  7:30 – 8:00

Cocktails

 

  8:00 – 11:00

Noble Lecture
Banquet
Best Student Poster Award Presentation

Noble Lecture Speaker:
Dr. Lucjan Piela, Warsaw University

 

Schaefer Lecture

 

Henry F. Schaefer III
University of Georgia

Benzyne and Combustion Chemistry

2nd Session

 

 

Russell J. Boyd
Dalhousie University

The Electron Density as an Interpretive Tool in Chemistry

Peter Pulay
University of Arkansas

The Role of Parallel Computation in Quantum Chemistry

3rd Session

 

Mikhail Basilevsky
Karpov Institute of Physical Chemistry

Molecular Level Simulations of Solvent Reorganization Energies in Electron Transfer Reactions and Charge Transfer Spectra

W. Andrzej Sokalski
Wroclaw University
of Technology

Predicting Catalytic Activity of the Molecular Environment from the Knowledge of Reactant and Transition State Structures Only

Harold A. Scheraga
Cornell University

The Two Aspects of the Protein Folding Problem

4th Session

 

Mostafa A. El-Sayed
Georgia Institute of Technology

The Strong Enhanced Scattering and Photothermal Properties of Gold Nanoparticles of Different Shapes and Their Applications in Nanophotonics, Nanomotors and Nanomedicine

Kenneth M. Merz, Jr.
University of Florida

The Role of Quantum Mechanics in Structure-Based Drug Design

5th Session

 

 

Magdolna Hargittai
Eötvös University

Changing Relationship between Computation and Experiment: Metal Halide Molecular Structures

N. Yngve Öhrn
University of Florida

Nonadiabatic, Time-Dependent, Direct Dynamics of Molecular Reactive Processes

6th Session

 

Jean-Luc Brédas
Georgia Institute of Technology

Charge and Energy Transport in Organic Semiconductors

Bobby G. Sumpter
Oak Ridge National Laboratory

Computational Studies of Nanoscale Self-Assembly: A New Class of Supramolecular Wires

 

 

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