Focus Session: Electronic Structure and Applications to Energy Conversion II

Presentations

• Fundamental understanding and computational design of thin-film photovoltaics materials

  COFFEE_KLATCH · Invited

  March 24, 2011, 2:30 PM – March 24, 2011, 3:06 PM

  Authors

  • Jeffrey Grossman

    • Massachusetts Institute of Technology
    • MIT

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• Effect of environment and long range behaviour of exchange functional on polaron formation in $\pi$-conjugated polymers

  ORAL

  March 24, 2011, 3:06 PM – March 24, 2011, 3:18 PM

  Authors

  • Iffat Nayyar

    • Theoretical Div, Los Alamos National Lab, NM and NanoScience Technology Center, Dept. of Physics, University of Central Florida, Orlando, FL

  • Enrique Batista

    • Theoretical Division, Los Alamos National Lab, NM

  • Sergei Tretiak

    • Theoretical Division, Los Alamos National Lab, NM

  • Avadh Saxena

    • Theoretical Division, Los Alamos National Lab, NM

  • Darryl Smith

    • Theoretical Division, Los Alamos National Lab, NM

  • Richard Martin

    • Theoretical Division, Los Alamos National Lab, NM

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• Photo-induced modulation in the dipole moment of a donor-acceptor pair of organic molecules

  ORAL

  March 24, 2011, 3:18 PM – March 24, 2011, 3:30 PM

  Authors

  • Yoshiyuki Miyamoto

    • National Institute of Advanced Industrial Science and Technology, Japan

  • Mina Yoon

    • ORNL

  • Matthias Scheffler

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

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• Exciton transport and dissociation at organic interfaces

  COFFEE_KLATCH · Invited

  March 24, 2011, 3:30 PM – March 24, 2011, 4:06 PM

  Authors

  • David Beljonne

    • University of Mons

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• Correlating First-Principles Electronic Structure with Device Performance of Organic Photovoltaic Cells

  ORAL

  March 24, 2011, 4:06 PM – March 24, 2011, 4:18 PM

  Authors

  • Eric B. Isaacs

    • Molecular Foundry, Lawrence Berkeley National Laboratory

  • Sahar Sharifzadeh

    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Molecular Foundry, LBL

  • Biwu Ma

    • Molecular Foundry, Lawrence Berkeley National Laboratory

  • Jeffrey B. Neaton

    • Molecular Foundry, LBNL
    • Molecular Foundry, Lawrence Berkeley National Laboratory

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• Photo-induced Charge Separation in Nanoscale Donor-Bridge-Acceptor Systems: Theory and Experiment

  ORAL

  March 24, 2011, 4:18 PM – March 24, 2011, 4:30 PM

  Authors

  • Peter Doak

    • Molecular Foundry, LBNL; Department of Chemistry, UC-Berkeley

  • Pierre Darancet

    • Molecular Foundry, LBNL

  • Kasper Moth-Poulsen

    • Department of Chemical and Biological Engineering, Chalmers U. of Technology

  • Jesse Jenkins

    • Department of Chemistry, UC-Berkeley

  • Rachel Segalman

    • UC Berkeley
    • Department of Chemical Engineering, UC-Berkeley
    • University of California, Berkeley
    • Department of Chemical Engineering, University of California , Berkeley
    • University of California Berkeley
    • University of California - Berkeley

  • Don Tilley

    • Department of Chemistry, UC-Berkeley

  • Jeffrey B. Neaton

    • Molecular Foundry, LBNL
    • Molecular Foundry, Lawrence Berkeley National Laboratory

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• Exciton Scattering in Branched Conjugated Molecules: Towards Photoinduced Dynamics and Energy Transfer

  COFFEE_KLATCH · Invited

  March 24, 2011, 4:30 PM – March 24, 2011, 5:06 PM

  Authors

  • Vladimir Chernyak

    • Wayne State University

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• NA-ESMD modeling of photoinduced dynamics in conjugated molecules

  ORAL

  March 24, 2011, 5:06 PM – March 24, 2011, 5:18 PM

  Authors

  • Tammie Nelson

    • Los Alamos National Laboratory

  • Sebastian Fernandez-Alberti

    • Universidad Nacional de Quilmes

  • Vladimir Chernyak

    • Wayne State University

  • Adrian Roitberg

    • University of Florida

  • Sergei Tretiak

    • Los Alamos National Laboratory

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