Chemical Physics of Multichromophores II

Presentations

• Conditional energy transfer: Towards molecular excitonic Gates.

  COFFEE_KLATCH · Invited

  March 14, 2017, 8:00 AM – March 14, 2017, 8:36 AM

  Authors

  • Alan Aspuru-Guzik

    • Harvard University

  View abstract →

• Quantum-classical master equation approach to energy transfer dynamics in multichromophoric systems

  ORAL

  March 14, 2017, 8:36 AM – March 14, 2017, 8:48 AM

  Authors

  • Aaron Kelly

    • Dalhousie Univ

  • William Pfalzgraff

    • Stanford University

  • Andres Montoya-Castillo

    • Stanford University

  • Thomas Markland

    • Stanford University

  View abstract →

• Interference of Interchromophoric Energy Transfer Pathways in π-Conjugated Macrocycles

  ORAL

  March 14, 2017, 8:48 AM – March 14, 2017, 9:00 AM

  Authors

  • Tammie Nelson

    • Los Alamos National Lab

  • Laura Alfonso-Hernandez

    • Universidad Nacional de Quilmes/CONICET

  • Maxim Gelin

    • Technische Universitat Munchen

  • John Lupton

    • Universitat Regensburg

  • Sergei Tretiak

    • Los Alamos National Lab

  • Sebastian Fernandez-Alberti

    • Universidad Nacional de Quilmes/CONICET

  View abstract →

• Interfacial disorder drives charge separation in molecular semiconductors

  COFFEE_KLATCH · Invited

  March 14, 2017, 9:00 AM – March 14, 2017, 9:36 AM

  Authors

  • Adam Willard

    • Massachusetts Inst of Tech-MIT
    • MIT

  View abstract →

• A coarse-gained model of exciton dynamics on long-chain conjugated polymer system

  ORAL

  March 14, 2017, 9:36 AM – March 14, 2017, 9:48 AM

  Authors

  • Elizabeth Lee

    • Massachusetts Inst of Tech-MIT

  • William Tisdale

    • Massachusetts Institute of Technology
    • Massachusetts Inst of Tech-MIT

  • Adam Willard

    • Massachusetts Inst of Tech-MIT
    • MIT

  View abstract →

• First-principles simulation of transient x-ray absorption spectroscopy of photo-excited molecular systems

  ORAL

  March 14, 2017, 9:48 AM – March 14, 2017, 10:00 AM

  Authors

  • Das Pemmaraju

    • Lawrence Berkeley National Laboratory and Stanford Linear Accelerator Laboratory

  • Kristina Closser

    • Lawrence Berkeley National Laboratory

  • David Prendergast

    • Lawrence Berkeley National Laboratory
    • The Molecular Foundry, Lawrence Berkeley National Laboratory (LBNL)

  View abstract →

• Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated \textit{ab initio} exciton model

  COFFEE_KLATCH · Invited

  March 14, 2017, 10:00 AM – March 14, 2017, 10:36 AM

  Authors

  • David Glowacki

    • University of Bristol

  View abstract →

• On-the-fly ab initio semiclassical dynamics for computing vibrationally resolved electronic spectra

  ORAL

  March 14, 2017, 10:36 AM – March 14, 2017, 10:48 AM

  Authors

  • Jiri Vanicek

    • Ecole Polytechnique Federale de Lausanne

  • Marius Wehrle

    • Ecole Polytechnique Federale de Lausanne

  • Miroslav Sulc

    • Ecole Polytechnique Federale de Lausanne

  • Solene Oberli

    • Ecole Polytechnique Federale de Lausanne

  View abstract →

• Anharmonic Densities of States -- A General Dynamics-Based Solution.

  ORAL

  March 14, 2017, 10:48 AM – March 14, 2017, 11:00 AM

  Authors

  • Darya Aleinikava

    • Benedictine University

  • Julius Jellinek

    • Chemical Sciences and Engineering Division, Argonne National Laboratory
    • CSE division, Argonne National Laboratory

  View abstract →