1. UW SMG Quantum Mechanics H  = E  1 st Principles Simulations Time Distance femtosec picosec nanosec microsec seconds minutes hours years 1 Å1 nm10 nmmicronmmmeters Mesoscale Dynamics Segment Averages Group Additivities Solubilities Molecular Dynamics F=MA Force Field Charges Finite Element Analysis Process Simulation Equilibrium Properties Transport Properties E & M Response and Properties Engineering Design

2. UW SMG Lattice Geometries

3. UW SMG DMC3-97 NLO Chromophre

4. UW SMG Features of Ellipsoids Complete flexibility of Charge and Dipole Distributions Complete flexibility of Connectivity to other Ellipsoids Complete flexibility of oreintation (for Monte Carlo and Brownian Dynamics Trajectories) Polarizability Tensor Computes all electrostatics with other Ellipsoids and arbitrary External Field A contact function to find Ellipsoid-Ellipsoid interactions Can have either Hard-Shell Repulsion or Leonard-Jones Interactions Solvent free energies and exposure factors (use the rolling ball method) Can generate dendrimers, polymers and lattices of ellipsoids

5. UW SMG Dendrimer Performance Statistical Mechanical Theory explains the improved performance of dendritic chromophores. By choosing a tilt angle for the three chromophores (~60°) the experimental enhancement (of ~ 2 fold) was realized.

6. UW SMG Dendrimer Structure

7. UW SMG Polymer of Dendrimers

8. UW SMG Lattice of Dendrimers

9. UW SMG Thermal Annealing

10. UW SMG Aspect Ratio

11. UW SMG Aspect Ratio and Field

12. UW SMG Light Through Regular Array

13. UW SMG Light Beam in Photonic Material