Excited State Processes in
Electronic and Bio Nanomaterials
ESP2009

La Fonda Hotel, Santa Fe, NM 
June 29 - July 2, 2009

The conference is sponsored by Center for Nonlinear Studies (CNLS), Center for Integrated Nanotechnologies (CINT),
Theoretical, Chemistry, Materials Physics and Applications, and Bioscience Divisions at Los Alamos National Laboratory and supported by the U.S. Department of Energy


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AGENDA

Monday, June 29

08:00am – 08:40am Registration
08:40am – 09:00am Welcome: Robert Ecke (CNLS Director)

Mixed-Valence Complexes / Catalysis / Metal Clusters / Biosystems

Session chair: Jennifer Martinez (LANL)

09:00am – 09:45am Mostafa El-Sayed (Georgia Tech) "Confining Photons to the Nanometer Size of Metallic Gold; Properties and Some Applications"
09:45am – 10:30am Enrique Batista (LANL) "Molecular Catalysts for H2 Formation: Theoretical Studies and Predictions"

10:30am – 10:45am Break

10:45am – 11:30am James McCusker (Michigan State University) “Ultrafast Spectroscopy of Charge-Transfer Chromophores of the First Transition Series: Fundamental Issues and Implications for Solar Energy Conversion”
11:30am – 12:15pm Susan Dexheimer (Washington State) “Excited-State Processes in Quasi-One-Dimensional Mixed-Valence Complexes: Ultrafast Dynamics of Electronic Localization”
12:15pm – 12:35pm Svetlana Neretina (Georgia Tech)“Plasmon Field Enhancement of Nonradiative Relaxation of Bandgap Electrons in CdTe-Au Core-Shell Nanorods”

12:35pm – 02:00pm Lunch

Session chair: Matt Challacombe (LANL)

02:00pm – 02:45pm Anna Krylov (USC) “On the Nature of Electronically Excited and Ionized States of the Anionic Form of the Green Fluorescent Protein Chromophore”
02:45pm – 03:30pm Donatas Zigmantas (Lund University) “Electronic Two-Dimensional Spectroscopy of Molecular Aggregates”

03:30pm – 03:45pm Break

03:45pm – 04:30pm Ludmila Slipchenko (Purdue University) “Electronic Structure and Exciton Coupling in the Flexible Bichromophore, Diphenylmethane”
04:30pm – 04:50pm Carles Curutchet (University of Toronto) “How to Model Solvent Effects in Electronic Energy Transfer and Light Harvesting”
04:50pm – 05:10pm James Werner (LANL) “Confocal, 3D Tracking of Single Quantum Dots: From Time-Resolved Emission to Cellular Membrane Dynamics”
05:10pm – 05:40pm Discussion Panel, Moderators: Andrew Shreve (LANL) and David Nesbitt (JILA)

06:00pm Reception/Cash bar

Tuesday, June 30
Conjugated Polymers / Devices

Session chair: Brian Crone (LANL)

08:40am – 09:25am John Marohn (Cornell University) “Time- and Wavelength-Resolved Electric Force Microscope Studies of Degradation and Charge Trapping in Films of pi- Conjugated Molecules”
09:25am – 10:10am Linda Peteanu (Carnegie-Melon University) “Effects of Aggregation on the Properties of Individual Conjugated Oligomers and Polymers Probed by Fluorescence Microscopy”
10:10am – 10:55am Lin X. Chen (Northwestern University/ANL) “Excited State Structural Dynamics of Transition Metal Complexes Visualized by X-ray and Laser Transient Absorption Spectroscopy: A Decade Study and Future Prospective”

10:55am – 11:10am Break

11:10am – 11:55am Claudine Katan (University of Rennes, France) “Dissymmetry as a Tool to Control Emission Localization in Two-Photon Chromophores?”
11:55am – 12:40pm Sumit Mazumdar (University of Arizona) “Theory of Excited State Charge-Transfer in Conjugated Polymers: Single-Component Systems and Blends”

12:40pm – 02:00pm Lunch

Session chair: Richard Martin (LANL)

02:00pm – 02:45pm Marcus Wohlgenannt (University of Iowa) “Magnetoresistance and Spin-Transport in Organic Semiconductor Devices”
02:45pm – 03:30pm Yang Yang (UCLA) “Recent Progress on Polymer Solar Cells at UCLA”

03:30pm – 03:45pm Break

03:45pm – 04:30pm Biwu Ma (LBL) “Design of Functional Copolymers For Use in Light Emitting Devices”
04:30pm – 04:50pm Elizabeth Lupton (University of Utah) “Strain Engineering of Organic Semiconductors”
04:50pm – 05:10pm Sergey Malinin (Wayne State University) “Exciton Scattering Approach for Optical Spectra of Branched Conjugated Molecules”
05:10pm – 05:40pm Discussion Panel, Moderators: John Lupton (University of Utah) and Anne Kelley (UC Merced)

Poster Session
Poster session chair: Sergei Tretiak (LANL)

05:45pm – 06:00pm Preparation
06:00pm – 08:00pm Poster Session, Reception

Wednesday, July 1
Quantum Dots / Hybrid Materials

Session chair: Jennifer Hollingsworth (LANL)

08:40am – 09:25am Philippe Guyot-Sionnest (University of Chicago) “Hot Carrier Relaxation and Magneto-Transport Studies of Colloidal Quantum Dot”
09:25am – 10:10am Patanjali Kambhampati (McGill University) “State-Resolved Exciton Dynamics in Semiconductor Quantum Dots”
10:10am – 10:30am Thomas Baker (JILA, University of Colorado) “Quantum Dot Blinking in the Dark”

10:30am – 10:45am Break

10:45am – 11:30am Scott Crooker (LANL) “Manganese-doped ZnSe/CdSe Core/Shell Nanocrystals: Tunable Magnetic Exchange Interactions”
11:30am – 12:15pm Enrico Da Como (University of Muenchen) “Light Harvesting in Tetrapod Nanocrystal Heterostructures”
12:15pm – 12:35pm Florencio Garcia-Santamaria (LANL) “Suppressed Auger Recombination in “Giant” Nanocrystals Boosts Optical Gain Performance”

12:35pm – 02:00pm Lunch

Session chair: Alan Bishop (LANL)

02:00pm – 02:45pm David Gershoni (Israel Institute of Technology) “Radiative Cascades in Charged Semiconductor Quantum Dots”
02:45pm – 03:30pm Xiaosong Li (University of Washington) "Charge-Controlled Magnetism in Diluted Magnetic Semiconductor Nanocrystals - Some Theoretical Insights”

03:30pm – 03:45pm Break

03:45pm – 04:30pm Oleg Prezhdo (University of Washington) “Dynamics on the Nanoscale: Time-Domain ab initio Studies of Quantum Dots and Molecule-Semiconductor Interfaces”
04:30pm – 04:50pm Istvan Robel (LANL) “Universal Size Dependent Trend in Auger Recombination in Direct- and Indirect-Gap Semiconductor Nanocrystals”
04:50pm – 05:10pm Svetlana Kilina (LANL) “The Effect of Surface Ligands on Optical Properties and Phonon-assisted Dynamics in Semiconductor Nanoclusters”
05:10pm – 05:40pm Discussion Panel, Moderators: Victor Klimov (LANL) and Andrei Piryatinski (LANL)

06:30pm Banquet; Remarks: Valy Vardeny (University of Utah)

Thursday, July 2
Carbon Nanotubes / Molecular Aggregates

Session chair: Andrew Dattelbaum (LANL)

08:40am – 09:00am Michael Bedard-Hearn (University of Texas at Austin) “Exciton Dissociation and Charge Separation in Photoexcited Conjugated Polymers: Nonadiabatic Quantum/Classical Dynamics Simulations of PPV Oligomers”
09:00am – 09:45am Vasili Perebeinos (IBM) “Environmental Effects on the Optical Properties in Carbon Nanotubes”
09:45am – 10:30am Anna Swan (Boston University) “Coherence Effects and Exciton Diffusion Dynamics in (6,5) Carbon Nanotubes”

10:30am – 10:45am Break

10:45am – 11:30am Johannes Guettinger (ETH Zürich) “Graphene Quantum Dots”
11:30am – 12:15pm Steven Doorn (LANL) “Raman Studies of Exciton Behavior in Single-Walled Carbon Nanotubes”
12:15pm – 12:35pm Juan Duque (LANL) “Intrinsic and Extrinsic Factors which Affects the Optical Properties of Individual Single-Walled Carbon Nanotubes”

12:35pm – 02:00pm Lunch

Session chair: Stuart Trugman (LANL)

02:00pm – 02:45pm Christopher Bardeen (UC Riverside) “Photophysics of Anthracene and Tetracene Dimers and Crystals: From Exciton Delocalization to Exciton Fission”
02:45pm – 03:30pm Oliver Monti (University of Arizona) “Power-Law Kinetics in an Environment with Minimal Disorder”

03:30pm – 03:45pm Break

03:45pm – 04:30pm Valy Vardeny (University of Utah) “Threshold Excitation Statistics of Random Lasers in -Conjugated Polymer Films; Evidence for Random Resonators”
04:30pm – 04:50pm Matt Challacombe (LANL) “Quasi-Independent Rayleigh Quotinent Iteration for Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations”
04:50pm – 05:10pm John Sears (Georgia Tech) “Single and Multireference Approaches for the Excited States of Organometallic Complexes”
05:10pm – 05:40pm Discussion Panel, Moderators: Vladimir Chernyak (Wayne State University) and Christopher Bardeen (UC Riverside)
05:40pm – 05:45pm Closing Remarks

Poster Session

Tuesday, June 30, 2009 (06:00pm – 08:00pm)
  1. Karan Aryanpour (University of Arizona) "Below-Gap'' Excitation and Bound Polaron-Pair State in PPV-Fullerene Blend
  2. Ekaterina Badaeva (University of Washington)TDDFT Study of Electronic Excitations in Mn2+ and Co2+ Doped Zn) Quantum Dots
  3. Ekaterina Badaeva (University of Washington) Electronic and Optical Response of Functionalized Ru(II) Complexes: Joint Theoretical and Experimental Study
  4. Thomas Baker (JILA, University of Colorado) Environmental Effects on Quantum Dot Blinking
  5. Jefferson Bates (UC Irvine) DFT Investigation of side on dinitrogen bonding in heavy metal complexes
  6. Golan Bel (LANL) Absorption and Emission Photon Counting Statistics in Single-Molecule Fluorescence Spectroscopy
  7. Ksenia Bravaya (USC) The effect of H-bonding and -stacking interactions on ionization energies of DNA bases
  8. Sean Fischer (University of Washington) Electron Transfer Dynamics of Wet-electrons on the TiO2 Surface
  9. Al'ona Furmanchuk (Jackson State University) CPMD study of the Young’s modulus of Si nanowires and SWCNTs
  10. Satyender Goel (University of Central Florida) Ligand effect on the absorption and emission of noble metal nanoclusters
  11. Ilya Grigorenko (LANL) Forster energy transfer and decoherence mechanisms in the presence of core-shell metal-dielectric hetero-structure
  12. Markus Hallermann (University of Muenchen) Charge Transfer Excitons in Polymer Fullerene Blends
  13. Mark Harrah (Boston University) Exciton 1-D Random Walk and Non-radiative Decay in Single-Walled Carbon Nanotubes
  14. Golda Hukic-Markosian (University of Utah) Optically Detected Magnetic Resonance (ODMR) Studies of Organic Semiconductors for Photovoltaic Applications
  15. Elena Jakubikova (LANL) Interfacial electron transfer in TiO2 surfaces sensitized with Ru(II)-polypyridine complexes
  16. Dmitri Kilin (University of Florida) Theory of spectral dynamics at interfaces of photo-excited nanostructures
  17. Dmitri Kilin (University of Florida) Metalic Nanoparticles For Molecular Electronics And Photovoltaics
  18. Svetlana Kilina (LANL) Intra- Versus Inter-Molecular Disorder in Amorphous Conjugated Polymers
  19. Ankit Kumar (UCLA) Dipole induced anomalous S-shape I-V curves in polymer solar cells
  20. Doh Lee (LANL) Colloidal Synthesis of Infrared-Emitting Germanium Nanocrystals
  21. Hao Li (Wayne State University) Exciton Scattering Approach for Optical Spectra of Branched Conjugated Molecules
  22. Lora Nugent-Glandorf (JILA, University of Colorado) Photoinduced Quantum Dot “Death”: Environmental, Size and Photon Intensity Effects on CdSe/ZnS Nanocrystal Survival Lifetimes
  23. Bill Pandit (University of Utah) Ultrafast Spectroscopy of Hot Carriers in Graphite
  24. Jessica Ramirez (University of Florida) Electronic Structure of Functionalized Semiconductor Nanomaterials
  25. Espen Sagvolden (UC Irvine) The (2-pyridone)2 dimer and some observations about excitation energy transfer
  26. Igor Savukov (LANL) Magnetic Properties of Nanomaterials and Their Applications Based on NMR and Sensitive Magnetic-Field Measurements
  27. Sanjeev Singh (University of Utah) Photophysics of Organic photovoltaic materials
  28. Nikolai Sinitsyn (LANL) Spin polarization control by electric steering: proposal for a new spintronic device
  29. Srinivas Sista (UCLA) High Efficiency Polymer Tandem Cells
  30. Jianmin Tao (LANL) Can time-dependent density functional theory predict the excitation energies of conjugated polymers?
  31. Enrico Tapavicza (UC Irvine) Non-adiabatic Ab Initio Molecular Dynamics: Implementation and Application to Organic Photochemistry
  32. Cameron Thacker (University of Florida) Theoretical Insights on Surface Adsorption and Electronic Spectra of CdSe Quantum Dots Functionalized by Ru-bipyridine Complex
  33. Kirill Velizhanin (LANL) Exciton Scattering Model for Carrier Multiplication in Semiconductor Nanostructrues

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