Theory and Simulation of Excited-State Phenomena in Semiconductors and Nanostructures II

Presentations

• Accurate effective masses from first principles

  ORAL

  March 3, 2015, 2:30 PM – March 3, 2015, 2:42 PM

  Authors

  • Jonathan Laflamme Janssen

    • Universit\'e catholique de Louvain, Institute of Condensed Matter and Nanosciences, Nanoscopic Physics

  • Xavier Gonze

    • Universit\'e catholique de Louvain, Institute of Condensed Matter and Nanosciences, Nanoscopic Physics

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• Luttinger's approach to thermal transport in nanoscale conductors

  ORAL

  March 3, 2015, 2:42 PM – March 3, 2015, 2:54 PM

  Authors

  • F.G. Eich

    • Department of Physics, University of Missouri-Columbia, Columbia, Missouri 65211, USA

  • A. Principi

    • Department of Physics, University of Missouri-Columbia, Columbia, Missouri 65211, USA

  • M. Di Ventra

    • Department of Physics, University of California, San Diego, La Jolla, California 92093, USA

  • G. Vignale

    • Department of Physics, University of Missouri-Columbia, Columbia, Missouri 65211, USA

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• Electronic and optical properties of a metal-organic framework with ab initio many-body perturbation theory

  ORAL

  March 3, 2015, 2:54 PM – March 3, 2015, 3:06 PM

  Authors

  • Kristian Berland

    • Univ. of Oslo, Dept. Physics, SMN

  • Kyuho Lee

    • Lawrence Berkeley National Lab., Molecular Foundry

  • Sahar Sharifzadeh

    • Boston University
    • Dept. of Electrical and Computer Engineering, Boston University

  • Jeffrey Neaton

    • Univ of California - Berkeley
    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Physics Department, UC Berkeley \& Molecular Foundry, LBNL \& Kavli Energy NanoSciences Institute at Berkeley, Berkeley
    • University of California at Berkeley
    • University of California, Berkeley; Lawrence Berkeley National Laboratory
    • Dept. of Physics, UC Berkeley
    • Molecular Foundry, Lawrence Berkeley National Laboratory; Department of Physics, University of California-Berkeley
    • University of California, Berkeley and Lawrence Berkeley National Lab
    • Molecular Foundry, Lawrence Berkeley National Laboratory, and Department of Physics, UC-Berkeley
    • Lawrence Berkeley National Laboratory

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• Polarization-dependent force driving the E$_\textrm{g}$ mode in bismuth under optical excitation: comparison of first-principles theory with ultra-fast x-ray experiments

  ORAL

  March 3, 2015, 3:06 PM – March 3, 2015, 3:18 PM

  Authors

  • Stephen Fahy

    • Tyndall National Institute; University College Cork, Ireland
    • Tyndall National Institute, University College Cork

  • Eamonn Murray

    • Tyndall National Institute, Cork, Ireland
    • Tyndall National Institute, University College Cork

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• Nonadiabatic coupling and hot carrier relaxation in graphene quantum dots

  ORAL

  March 3, 2015, 3:18 PM – March 3, 2015, 3:30 PM

  Authors

  • Jonathan Trinastic

    • Quantum Theory Project, University of Florida

  • Iek-Heng Chu

    • University of California-San Diego

  • Hai-Ping Cheng

    • Quantum Theory Project, University of Florida

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• Excitons in solids with non-empirical hybrid time-dependent density-functional theory

  ORAL

  March 3, 2015, 3:30 PM – March 3, 2015, 3:42 PM

  Authors

  • Carsten Ullrich

    • University of Missouri

  • Zeng-hui Yang

    • Temple University

  • Francesco Sottile

    • ETSF, Ecole Polytechnique, Palaiseau

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• Electron Excitation Dynamics of Molecules Induced by Optical Near-Field

  ORAL

  March 3, 2015, 3:42 PM – March 3, 2015, 3:54 PM

  Authors

  • Katsuyuki Nobusada

    • Institute for Molecular Science

  • Masashi Noda

    • Institute for Molecular Science

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• First-principles calculation for electron dynamics in dielectrics induced by intense laser pulses

  ORAL

  March 3, 2015, 3:54 PM – March 3, 2015, 4:06 PM

  Authors

  • Shunsuke Sato

    • University of Tsukuba

  • Kazuhiro Yabana

    • University of Tsukuba

  • Yasushi Shinohara

    • Max Planck Institute

  • Kyung-Min Lee

    • Center for Relativistic Laser Science

  • Tomohito Otobe

    • Japan Atomic Energy Agency

  • George F. Bertsch

    • University of Washington

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• Study of attosecond dynamics of small and medium sized molecules induced by ultra-short optical pulses using TD-DFT

  ORAL

  March 3, 2015, 4:06 PM – March 3, 2015, 4:18 PM

  Authors

  • Micael Oliveira

    • D\'epartement de Physique, Universit\'e de Li\`ege, Belgium

  • Gabriele D'Avino

    • D\'epartement de Physique, Universit\'e de Li\`ege, Belgium

  • Tomasz Kus

    • D\'epartement de Chimie, Universit\'e de Li\`ege, Belgium

  • Benoit Mignolet

    • D\'epartement de Chimie, Universit\'e de Li\`ege, Belgium

  • Theodoros Papadopoulos

    • Institute of Renewable Energy and Environmental Technologies (IREET), Department of Engineering, Bolton, UK

  • Fran\c{c}oise Remacle

    • D\'epartement de Chimie, Universit\'e de Li\`ege, Belgium

  • Matthieu Verstraete

    • D\'epartement de Physique, Universit\'e de Li\`ege, Belgium

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• Optical properties of alkali halide crystals from all­-electron hybrid-exchange TD-DFT calculations

  ORAL

  March 3, 2015, 4:18 PM – March 3, 2015, 4:30 PM

  Authors

  • Ross Webster

    • Imperial College

  • Leonardo Bernasconi

    • STFC Rutherford Appleton Laboratory

  • Nicholas Harrison

    • Thomas Young Centre, Department of Chemistry, Imperial College London, London SW7 2AZ, United Kingdom
    • Imperial College
    • Imperial College London

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• A fast real time time-dependent density functional theory simulation method

  ORAL

  March 3, 2015, 4:30 PM – March 3, 2015, 4:42 PM

  Authors

  • Lin-Wang Wang

    • Lawrence Berkeley Natl Lab
    • Lawrence Berkeley National Laboratory
    • Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab

  • Zhi Wang

    • Lawrence Berkeley National Laboratory, Berkeley; Institute of Semiconductors, Chinese Academy of Sciences

  • Shu-Shen Li

    • Institute of Semiconductors, Chinese Academy of Sciences
    • Institute of Semiconductors, Chinese Academy of Sci (CAS)

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• Correlated Light-Matter Interactions in Cavity QED

  ORAL

  March 3, 2015, 4:42 PM – March 3, 2015, 4:54 PM

  Authors

  • Johannes Flick

    • Fritz-Haber-Institut, Berlin

  • Camilla Pellegrini

    • Universidad del Pais Vasco, San Sebastian

  • Michael Ruggenthaler

    • Institut fur Theoretische Physik, Universitat Innsbruck

  • Heiko Appel

    • Fritz-Haber-Institut, Berlin

  • Ilya Tokatly

    • Universidad del Pais Vasco, San Sebastian

  • Angel Rubio

    • Universidad del Pais Vasco San Sebastian

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• Fast Integral method for the calculation of Hartree and Exchange terms in DFT and TDDFT

  ORAL

  March 3, 2015, 4:54 PM – March 3, 2015, 5:06 PM

  Authors

  • Michael Zuzovski

    • Dept. of Physical Electronics, Tel-Aviv University, Israel

  • Amir Boag

    • Dept. of Physical Electronics, Tel-Aviv University, Israel

  • Amir Natan

    • Dept. of Physical Electronics, Tel-Aviv University, Israel

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• Band Gap Studies in Density Functional Theory

  ORAL

  March 3, 2015, 5:06 PM – March 3, 2015, 5:18 PM

  Authors

  • Thomas E. Baker

    • Department of Physics \& Astronomy, University of California, Irvine, California 92697 USA
    • University of California, Irvine, CA 92697

  • Lucas Wagner

    • Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling,FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The

  • Miles Stoudenmire

    • Perimeter Institute for Theoretical Physics, Waterloo, Ontario, N2L 2Y5 Canada

  • Kieron Burke

    • Department of Chemistry and of Physics, University of California, Irvine, California 92697 USA

  • Steven White

    • Department of Physics \& Astronomy, University of California, Irvine, California 92697 USA

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• Real-time quantum electron-phonon dynamics

  ORAL

  March 3, 2015, 5:18 PM – March 3, 2015, 5:30 PM

  Authors

  • Valerio Rizzi

    • Queen's University Belfast

  • Tchavdar Todorov

    • Queen's University Belfast

  • Jorge Kohanoff

    • Queen's University Belfast

  • Alfredo Correa

    • Lawrence Livermore National Laboratory

  View abstract →