First-principles Modeling of Excited-state Phenomena in Materials IX: Applications of First Principles Methods to Magnetic and Catalytic Materials

FOCUS · P20

Presentations

  • Charge separation and band alignment at photo-electrochemical interfaces

    Invited

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    Presenters

    • Ismaila Dabo

      Pennsylvania State University, Materials Science and Engineering Department, Pennsylvania State University, Materials Science and Engineering, Pennsylvania State University

    Authors

    • Ismaila Dabo

      Pennsylvania State University, Materials Science and Engineering Department, Pennsylvania State University, Materials Science and Engineering, Pennsylvania State University

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  • Ground and excited states of iron-phthalocyanine: a DFT+DMFT analysis

    ORAL

    –

    Presenters

    • Volodymyr Turkowski

      Physics, University of Central Florida, Orlando, 32816 FL, Dept. of Physics, University of Central Florida, Physics, University of Central Florida, University of Central Florida

    Authors

    • Volodymyr Turkowski

      Physics, University of Central Florida, Orlando, 32816 FL, Dept. of Physics, University of Central Florida, Physics, University of Central Florida, University of Central Florida

    • Shree Ram Acharya

      Physics, University of Central Florida, Orlando, 32816 FL

    • Carlos Garcia-Fernandez

      Donostia International Physics Center, 20018 San Sebastian, Spain

    • Nicolas Lorente

      Donostia International Physics Center, 20018 San Sebastian, Spain

    • Talat S. Rahman

      Physics, University of Central Florida, Orlando, 32816 FL

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  • Electron-phonon coupling in photoexcited Bi<sub>2</sub>Te<sub>3</sub>

    ORAL

    –

    Presenters

    • Jose Querales-Flores

      Tyndall National Institute, Materials Theory, Tyndall National Institute

    Authors

    • Jose Querales-Flores

      Tyndall National Institute, Materials Theory, Tyndall National Institute

    • Ivana Savic

      Tyndall National Institute, Tyndall National Institute, Cork, Ireland, Materials Theory, Tyndall National Institute

    • Éamonn Murray

      Imperial College London, UK, Department of Physics and Department of Materials, Imperial College London, Department of Materials and Department of Physics, Imperial College London

    • Stephen B Fahy

      University College Cork, University College Cork, Ireland, Department of Physics, University College Cork, Department of Physics, University College Cork, Cork, Ireland, Materials Theory, Tyndall National Institute

    • Jonathan Sobota

      Stanford University, Department of Applied Physics, Stanford University, SLAC National Accelerator Laboratory

    • Samuel W Teitelbaum

      Department of Chemistry, Massachusetts Institute of Technology, SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences

    • Takahiro Sato

      Stanford PULSE Institute, SLAC National Accelerator Laboratory

    • Matthieu Chollet

      Stanford PULSE Institute, SLAC National Accelerator Laboratory

    • James M Glownia

      SLAC National Accelerator Laboratory

    • Mariano Trigo

      SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences

    • Trevor P Bailey

      Department of Physics, University of Michigan

    • Ctirad Uher

      Department of Physics, University of Michigan

    • Patrick S Kirchmann

      SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory

    • Zhi-Xun Shen

      Stanford University, SLAC National Accelerator Laboratory

    • Costel R. Rotundu

      Department of Applied Physics, Stanford University, Stanford University

    • Thomas Henighan

      Stanford University

    • David A Reis

      Stanford University

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  • Structural parameters governing excited-state properties of self-assembling π-conjugated peptides: a classical and quantum study

    ORAL

    –

    Presenters

    • Bryce Thurston

      Center for Integrated Nanotechnologies, Sandia National Laboratories

    Authors

    • Bryce Thurston

      Center for Integrated Nanotechnologies, Sandia National Laboratories

    • Ethan Shapera

      Physics, University of Illinois at Urbana-Champaign

    • Andre Schleife

      University of Illinois at Urbana-Champaign, Materials Science and Engineering, University of Illinois at Urbana-Champaign, Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign

    • Andrew L Ferguson

      Institute for Molecular Engineering, University of Chicago, The Institute for Molecular Engineering, University of Chicago

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  • Understanding battery and catalytic reactions via core-level spectroscopies

    Invited

    –

    Presenters

    • Maria Chan

      Argonne National Lab, Argonne National Laboratory, Center for Nanoscale Materials, Argonne National Laboratory

    Authors

    • Liang Li

      Argonne National Laboratory, Argonne National Lab, Center for Nanoscale Materials, Argonne National Laboratory

    • John Vinson

      National Institute of Standards and Technology

    • Eric Shirley

      National Institute of Standards and Technology

    • Maria Chan

      Argonne National Lab, Argonne National Laboratory, Center for Nanoscale Materials, Argonne National Laboratory

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  • Quantum Nonlinear Ferroic Optical Hall Effect

    ORAL

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    Presenters

    • Hua Wang

      Department of Materials Science and Engineering, Texas A&M University, Texas A&M University

    Authors

    • Hua Wang

      Department of Materials Science and Engineering, Texas A&M University, Texas A&M University

    • Xiaofeng Qian

      Department of Materials Science and Engineering, Texas A&M University, Texas A&M University

    View abstract →

  • Polar magneto-optical Kerr effect from antiferromagnetic M<sub>2</sub>As (M=Cr, Mn, and Fe) under external magnetic field

    ORAL

    –

    Presenters

    • Kisung Kang

      University of Illinois at Urbana-Champaign, Materials Science and Engineering, University of Illinois at Urbana-Champaign

    Authors

    • Kisung Kang

      University of Illinois at Urbana-Champaign, Materials Science and Engineering, University of Illinois at Urbana-Champaign

    • Krithik Puthalath

      University of Illinois at Urbana-Champaign, Physics, University of Illinois at Urbana-Champaign

    • David G Cahill

      Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champaign

    • Andre Schleife

      University of Illinois at Urbana-Champaign, Materials Science and Engineering, University of Illinois at Urbana-Champaign, Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign

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  • Photoactive metal-organic frameworks for gas separation

    ORAL

    –

    Presenters

    • Roberta Poloni

      Univ. Grenoble Alpes, CNRS, Grenoble

    Authors

    • Roberta Poloni

      Univ. Grenoble Alpes, CNRS, Grenoble

    • Claudio Attaccalite

      CINAM, CNRS, Marseille

    • Jing Li

      Institut Neel, CNRS, Grenoble

    • Aseem Rajan Kshiragar

      Univ. Grenoble Alpes, CNRS, Grenoble

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