First-principles Modeling of Excited-State Phenomena in Materials IV: Nanoscale Systems

FOCUS · E29

Presentations

  • Electronic and Optical Excitations in Confined Nanostructures

    Invited

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    Presenters

    • Serdar Ogut

      Department of Physics, University of Illinois at Chicago, Univ of Illinois - Chicago, Physics, Univ of Illinois - Chicago

    Authors

    • Serdar Ogut

      Department of Physics, University of Illinois at Chicago, Univ of Illinois - Chicago, Physics, Univ of Illinois - Chicago

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  • First-principles molecular dynamics simulations of ligand-passivated cadmium selenide quantum dots

    ORAL

    –

    Presenters

    • Siyoung Kim

      Institute for Molecular Engineering, University of Chicago

    Authors

    • Siyoung Kim

      Institute for Molecular Engineering, University of Chicago

    • Marton Voeroes

      Materials Science Division, Argonne National Laboratory, University of Chicago; Argonne National Laboratory, MSD, Argonne National Laboratory

    • Wooje Cho

      Department of Chemistry and James Franck Institute, University of Chicago

    • Francois Gygi

      Department of Computer Science, University of California Davis, University of California, Davis, Univ of California - Davis

    • Dmitri Talapin

      Department of Chemistry, University of Chicago, University of Chicago, University of Chicago; Argonne National Laboratory

    • Giulia Galli

      Institute for Molecular Engineering, University of Chicago, Univ of Chicago, University of Chicago, Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago, Chicago, IL, United States and Materials Science Division, Argonne National Laboratory, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, Univ of Chicago

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  • First-Principles Study of Hot Electron Dynamics in Silicon Quantum Dots

    ORAL

    –

    Presenters

    • Jian Cheng Wong

      Department of Chemistry, Univ of NC - Chapel Hill

    Authors

    • Jian Cheng Wong

      Department of Chemistry, Univ of NC - Chapel Hill

    • Lesheng Li

      Chemistry, Univ of NC - Chapel Hill, Department of Chemistry, Univ of NC - Chapel Hill

    • Yosuke Kanai

      Chemistry, Univ of NC - Chapel Hill, Department of Chemistry, Univ of NC - Chapel Hill

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  • Simulation of Laser-Induced Rectification in a Nano-scale Diode Model

    ORAL

    –

    Presenters

    • Xiaojia Xu

      Physics and Astronomy, Vanderbilt University

    Authors

    • Xiaojia Xu

      Physics and Astronomy, Vanderbilt University

    • Daniel Kidd

      Physics and Astronomy, Vanderbilt University, Physics and Anstronomy, Vanderbilt University

    • Kazuyuki Watanabe

      Tokyo University of Science, Physics, Tokyo University of Science

    • Kalman Varga

      Physics, Vanderbilt University, Physics and Astronomy, Vanderbilt University, Physics and Anstronomy, Vanderbilt University

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  • First principles Theory for Non-linear Transport in Nano-structures

    ORAL

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    Presenters

    • Oscar Grånäs

      Department of Physics and Astronomy, Uppsala University

    Authors

    • Oscar Grånäs

      Department of Physics and Astronomy, Uppsala University

    • Grigory Kolesov

      School of Engineering and Applied Sciences, Harvard University, Physics, Harvard University, Department of Physics, Harvard University, School of Engineering and Applied Science, Harvard University

    • Efthimios Kaxiras

      Department of Physics, Harvard University, Harvard Univ, Harvard University, Physics, Harvard University, School of Engineering and Applied Science, Harvard University

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  • Photoinduced topological phase transition in black phosphorous and graphene

    ORAL

    –

    Presenters

    • Jiatao Sun

      Chinese Academy of Sciences, Institute of Physics, Chinese Academy of Sciences

    Authors

    • Jiatao Sun

      Chinese Academy of Sciences, Institute of Physics, Chinese Academy of Sciences

    • Hang Liu

      Institute of Physics, Chinese Academy of Sciences

    • Sheng Meng

      Chinese Academy of Sciences, Institute of Physics, Chinese Academy of Sciences

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  • Dependence of Hot Electron Transfer on Surface Coverage and Adsorbate Species at Semiconductor-Molecule Hybrid Interfaces

    ORAL

    –

    Presenters

    • Lesheng Li

      Chemistry, Univ of NC - Chapel Hill, Department of Chemistry, Univ of NC - Chapel Hill

    Authors

    • Lesheng Li

      Chemistry, Univ of NC - Chapel Hill, Department of Chemistry, Univ of NC - Chapel Hill

    • Yosuke Kanai

      Chemistry, Univ of NC - Chapel Hill, Department of Chemistry, Univ of NC - Chapel Hill

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  • Electronic and Optical Excitations in Transition-Metal Oxide Clusters

    ORAL

    –

    Presenters

    • Young-Moo Byun

      Univ of Illinois - Chicago

    Authors

    • Young-Moo Byun

      Univ of Illinois - Chicago

    • Bin Shi

      Univ of Illinois - Chicago

    • Meisam Rezaei

      Univ of Illinois - Chicago

    • Serdar Ogut

      Department of Physics, University of Illinois at Chicago, Univ of Illinois - Chicago, Physics, Univ of Illinois - Chicago

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  • <i>Real-Time Density Functional Tight Binding: A New Computational Approach for Probing Plasmonic Properties of Large Material Systems</i>

    ORAL

    –

    Presenters

    • Bryan Wong

      Univ of California - Riverside, Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, Chemical & Environmental Engineering and Materials Science & Engineering, University of California Riverside

    Authors

    • Bryan Wong

      Univ of California - Riverside, Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, Chemical & Environmental Engineering and Materials Science & Engineering, University of California Riverside

    • Niranjan Ilawe

      Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, Chemical & Environmental Engineering, University of California Riverside

    • Maria Oviedo

      Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, Univ of California - Riverside

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  • Electron Affinity of Liquid Water

    ORAL

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    Presenters

    • Alex Gaiduk

      Institute for Molecular Engineering, University of Chicago

    Authors

    • Alex Gaiduk

      Institute for Molecular Engineering, University of Chicago

    • Tuan Anh Pham

      Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory

    • Marco Govoni

      Materials Science Division, Argonne National Laboratory, Institute for Molecular Engineering and Materials Science Division, Argonne National Lab, Argonne National Laboratory; University of Chicago, Insitute for Molecular Engineering and Materials Science Division, Argonne National Lab, Materials Science Division , Argonne National Laboratory, Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago

    • Francesco Paesani

      Department of Chemistry and Biochemistry, University of California, San Diego

    • Giulia Galli

      Institute for Molecular Engineering, University of Chicago, Univ of Chicago, University of Chicago, Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago, Chicago, IL, United States and Materials Science Division, Argonne National Laboratory, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, Univ of Chicago

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  • Laser-induced water decomposition near 2D sheets studied by TDDFT

    ORAL

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    Presenters

    • Yoshiyuki Miyamoto

      AIST

    Authors

    • Yoshiyuki Miyamoto

      AIST

    • Hong Zhang

      Sichuan University

    • Xinlu Cheng

      Sichuan University

    • Angel Rubio

      Max Planck Inst Structure & Dynamics of Matter, Theory, Max Planck Inst Structure & Dynamics of Matter, University of the Basque Country, Theory department, Max Planck Institute for the Structure and Dynamics of Matter, Universidad del Pais Vasco, Strc Dyn of Matt, Max Plank Insititute, Theory, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter

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  • Calculation of Excited-State Properties by Analysis of Electronic Response to Initial-State, and External-Field Perturbations

    ORAL

    –

    Presenters

    • Martin Mosquera

      Chemistry, Northwestern University

    Authors

    • Martin Mosquera

      Chemistry, Northwestern University

    • Lin Chen

      Chemistry, Northwestern University

    • Mark Ratner

      Chemistry, Northwestern University, Northwestern Univ., Northwestern University

    • George Schatz

      Chemistry, Northwestern University, Northwestern University

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