Advances in Modeling Phonon, Spin, Charge, and Chemical Dynamics

Presentations

• Exploring magnetic properties and electron correlation effects at hybrid interfaces

  ORAL · Invited

  March 21, 2025, 11:00 AM – March 21, 2025, 11:36 AM

  Presenters

  • Andrea Droghetti

    Ca' Foscari University of Venice, Italy, Univ del Pais Vasco

  Authors

  • Andrea Droghetti

    Ca' Foscari University of Venice, Italy, Univ del Pais Vasco

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• First principles construction of Newns-Anderson Hamiltonians for hydrogen chemistry at surfaces

  ORAL

  March 21, 2025, 11:36 AM – March 21, 2025, 11:48 AM

  Presenters

  • Nils Hertl

    University of Warwick

  Authors

  • Nils Hertl

    University of Warwick

  • Zsuzsanna Koczor-Benda

    University of Warwick

  • Reinhard Maurer

    University of Warwick

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• Dynamic Simulations of Electron-Ion Interactions in Hot Electron-Driven Surface Catalytic Reactions

  ORAL

  March 21, 2025, 11:48 AM – March 21, 2025, 12:00 PM

  Publication: None

  Presenters

  • Xixi Qin

    SLAC National Accelerator Laboratory, SLAC

  Authors

  • Xixi Qin

    SLAC National Accelerator Laboratory, SLAC

  • Alan C Luntz

    SLAC National Accelerator Laboratory

  • Frank A Pedersen

    SLAC National Accelerator Laboratory

  • Johannes Voss

    SUNCAT Center, SLAC National Accelerator Laboratory, SLAC National Accelerator Laboratory

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• Strain dependent magnetocrystalline anisotropy in metallic antiferromagnet Fe₂As from first principles

  ORAL

  March 21, 2025, 12:00 PM – March 21, 2025, 12:12 PM

  Presenters

  • Junehu Park

    University of Illinois at Urbana-Champaign

  Authors

  • Junehu Park

    University of Illinois at Urbana-Champaign

  • Andre Schleife

    University of Illinois at Urbana-Champaign

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• The chiral induced spin selectivity effect – dissipation and breaking the chiral symmetry

  ORAL · Invited

  March 21, 2025, 12:12 PM – March 21, 2025, 12:48 PM

  Presenters

  • Jonas Fransson

    Uppsala University

  Authors

  • Jonas Fransson

    Uppsala University

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• Oral: Dynamical effects in surface chemistry of metal alloy particles

  ORAL

  March 21, 2025, 12:48 PM – March 21, 2025, 1:00 PM

  Presenters

  • Changzhi Ai

    Stanford University; SUNCAT Center, SLAC National Accelerator Laboratory

  Authors

  • Changzhi Ai

    Stanford University; SUNCAT Center, SLAC National Accelerator Laboratory

  • Frank Abild-Pedersen

    SLAC, SUNCAT Center, SLAC National Accelerator Laboratory, SLAC National Accelerator Laboratory

  • Johannes Voss

    SUNCAT Center, SLAC National Accelerator Laboratory, SLAC National Accelerator Laboratory

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• Abstract Withdrawn

  ORAL Withdrawn

  March 21, 2025, 1:00 PM – March 21, 2025, 1:12 PM

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• Ehrenfest dynamics accelerated with SPEED

  ORAL

  March 21, 2025, 1:12 PM – March 21, 2025, 1:24 PM

  Publication: Ehrenfest dynamics accelerated with SPEED, Alan Scheidegger and Jiří J. L. Vaníček, In preparation.

  Presenters

  • Alan Scheidegger

    Ecole Polytechnique Federale de Lausanne

  Authors

  • Alan Scheidegger

    Ecole Polytechnique Federale de Lausanne

  • Jiri J Vanicek

    Ecole Polytechnique Federale de Lausanne

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• Recent advances in real-time equation-of-motion coupled cluster Green's function approach: triples and off-diagonal components

  ORAL

  March 21, 2025, 1:24 PM – March 21, 2025, 1:36 PM

  Presenters

  • Fernando D Vila

    University of Washington

  Authors

  • Fernando D Vila

    University of Washington

  • John J Rehr

    University of Washington

  • Karol Kowalski

    Pacific Northwest National Laboratory (PNNL)

  • Bo Peng

    Pacific Northwest National Laboratory (PNNL)

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• Abstract Withdrawn

  ORAL Withdrawn

  March 21, 2025, 1:36 PM – March 21, 2025, 1:48 PM

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• Reactivity and structure evolution of B-rich metal diboride surface in acidic electroreduction conditions

  ORAL

  March 21, 2025, 1:48 PM – March 21, 2025, 2:00 PM

  Presenters

  • Zisheng Zhang

    Stanford University & SLAC

  Authors

  • Zisheng Zhang

    Stanford University & SLAC

  • Thomas Jaramillo

    Stanford University

  • Frank Abild-Pedersen

    SLAC, SUNCAT Center, SLAC National Accelerator Laboratory, SLAC National Accelerator Laboratory

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