Quantum Dynamics

Presentations

• Quantum Scrambling in Molecules .

  ORAL

  March 18, 2022, 8:00 AM – March 18, 2022, 8:12 AM

  Publication: Submitted to PRL:
  Quantum Scrambling in Molecules Chenghao Zhang, Peter G. Wolynes, and Martin Gruebele,

  Presenters

  • Chenghao Zhang

    • University of Illinois at Urbana-Champaign

  Authors

  • Chenghao Zhang

    • University of Illinois at Urbana-Champaign

  • Martin Gruebele

    • University of Illinois at Urbana-Champaign

  • Peter G Wolynes

    • Rice University
    • Rice Univ

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• Generation of entangled photon pair from biexciton cascade decay in quantum dots

  ORAL

  March 18, 2022, 8:12 AM – March 18, 2022, 8:24 AM

  Presenters

  • Arindam Chakraborty

    • Syracuse University

  Authors

  • Arindam Chakraborty

    • Syracuse University

  • Nicole Spanedda

    • Syracuse University

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• Statistical Correlation Between Quantum Entanglement and Spin-Orbit Coupling in Crossed Beam Molecular Dynamics

  ORAL

  March 18, 2022, 8:24 AM – March 18, 2022, 8:36 AM

  Presenters

  • Sumit S Kale

    • Purdue University

  Authors

  • Sumit S Kale

    • Purdue University

  • Sabre Kais

    • Purdue University

  • Junxu Li

    • Purdue University

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• Polariton-mediated coupling of spatially separated quasi-degenerate porphyrin excitons.

  ORAL

  March 18, 2022, 8:36 AM – March 18, 2022, 8:48 AM

  Presenters

  • Aleksandr Avramenko

    • Wayne State University

  Authors

  • Aleksandr Avramenko

    • Wayne State University

  • Aaron Rury

    • Wayne State University

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• The role of topological disorder and heterogeneity on the dissolution kinetics of glasses

  ORAL

  March 18, 2022, 8:48 AM – March 18, 2022, 9:00 AM

  Publication: The role of topological disorder and heterogeneity on the dissolution kinetics of glasses (planned submission November 2021)

  Presenters

  • Luis A Ruiz Pestana

    • University of Miami

  Authors

  • Luis A Ruiz Pestana

    • University of Miami

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• Ammonia formation on hexagonal Molybdenum Nitride Surfaces using DFT with added van der Waals effects

  ORAL

  March 18, 2022, 9:00 AM – March 18, 2022, 9:12 AM

  Publication: Some part of this work is submitted to ACS Omega

  Presenters

  • Muhammad Sajid

    • University of Central Florida

  Authors

  • Muhammad Sajid

    • University of Central Florida

  • William Kaden

    • University of Central Florida

  • Abdelkader Kara

    • University of Central Florida

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• Characterization of light-induced potentials in the strong-field dissociation of O₂⁺

  ORAL

  March 18, 2022, 9:12 AM – March 18, 2022, 9:24 AM

  Publication: P. M. Abanador and U. Thumm, Phys. Rev. A 102, 053114 (2020).

  Presenters

  • Paul Abanador

    • Kansas State University

  Authors

  • Paul Abanador

    • Kansas State University

  • Uwe Thumm

    • Kansas State University

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• Insights into the formation of methane and methanol via photocatalytic water splitting in in the presence of methyl iodide on a TiO₂(100) surface

  ORAL

  March 18, 2022, 9:24 AM – March 18, 2022, 9:36 AM

  Presenters

  • MIhai E Vaida

    • University of Central Florida

  Authors

  • MIhai E Vaida

    • University of Central Florida

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• Quantum dynamics simulation of intramolecular singlet fission in covalently linked tetracene dimer

  ORAL

  March 18, 2022, 9:36 AM – March 18, 2022, 9:48 AM

  Publication: https://arxiv.org/abs/2107.13948

  Presenters

  • Sam Mardazad

    • LMU Munich

  Authors

  • Sam Mardazad

    • LMU Munich

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• Non-Hermitian topology in a spatially-extended system of chemical reactions

  ORAL

  March 18, 2022, 9:48 AM – March 18, 2022, 10:00 AM

  Publication: N/A

  Presenters

  • Tamoghna Das

    • Institute for Basic Science

  Authors

  • Tamoghna Das

    • Institute for Basic Science

  • Tsvi Tlusty

    • Institute for Basic Science

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• Exploring Chiral-Induced Spin Selectivity using Nitrogen–Vacancy Centers in Diamond

  ORAL

  March 18, 2022, 10:00 AM – March 18, 2022, 10:12 AM

  Presenters

  • John M Abendroth

    • ETH Zurich

  Authors

  • John M Abendroth

    • ETH Zurich

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• Quantum Monte Carlo study on Van der Waals interactions in hydrogen adsorption on a silicon-carbide nanotube

  ORAL

  March 18, 2022, 10:12 AM – March 18, 2022, 10:24 AM

  Publication: G. I. Prayogo, H. Shin, A. Benali, R. Maezono, K. Hongo, Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo, ACS Omega 6, 38, 24630–24636 (2021), DOI: 10.1021/acsomega.1c03318

  Presenters

  • Genki I Prayogo

    • School of Information Science, JAIST, Nomi, Ishikawa, Japan
    • School of Information Science, JAIST

  Authors

  • Genki I Prayogo

    • School of Information Science, JAIST, Nomi, Ishikawa, Japan
    • School of Information Science, JAIST

  • Hyeondeok Shin

    • Computational Science Division, Argonne National Laboratory, Argonne, IL, United States

  • Anouar Benali

    • Computational Science Division, Argonne National Laboratory
    • Computational Science Division, Argonne National Laboratory, Argonne, IL, United States
    • Argonne National Labratory
    • Argonne National Laboratory

  • Ryo Maezono

    • School of Information Science, JAIST
    • School of Information Science, JAIST, Nomi, Ishikawa, Japan
    • School of Information Science, JAIST, Nomi, Ishikawa, Japan.

  • Kenta Hongo

    • Research Center for Advanced Computing Infrastructure, JAIST
    • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan
    • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan.

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• Benchmark all-electron ab initio quantum Monte Carlo calculations with Antisymmetrized Geminal Power (AGP) and Pfaffian Ansatz for G2-set molecules using TurboRVB package

  ORAL

  March 18, 2022, 10:24 AM – March 18, 2022, 10:36 AM

  Publication: Planned paper: Benchmark all-electron ab initio quantum Monte Carlo calculations with Antisymmetrized Geminal Power (AGP) and Pfaffian Ansatz for G2-set molecules using TurboRVB package

  Presenters

  • Abhishek Raghav

    • School of Information Science, JAIST

  Authors

  • Abhishek Raghav

    • School of Information Science, JAIST

  • Ryo Maezono

    • School of Information Science, JAIST
    • School of Information Science, JAIST, Nomi, Ishikawa, Japan
    • School of Information Science, JAIST, Nomi, Ishikawa, Japan.

  • Kenta Hongo

    • Research Center for Advanced Computing Infrastructure, JAIST
    • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan
    • Research Center for Advanced Computing Infrastructure, JAIST, Nomi, Ishikawa, Japan.

  • Sandro Sorella

    • International School for Advanced Studies
    • Condensed Matter Theory group, SISSA

  • Kousuke Nakano

    • 1. International School for Advanced Studies 2. School of Information Science, JAIST
    • School of Information Science, JAIST
    • School of Information Science, JAIST, Nomi, Ishikawa, Japan.
    • Condensed matter theory, SISSA

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• Semi-empirical Quantum Optics for Mid-Infrared Molecular Nanophotonics

  ORAL

  March 18, 2022, 10:36 AM – March 18, 2022, 10:48 AM

  Publication: [1] J.F. Triana et al., arXiv:2110.07371, 2021.
  [2] A.B. Grafton et al., Nature Communications 12, 214, 2021.
  [3] J.F. Triana, F.J. Hernández & F. Herrera, J. Chem. Phys. 152, 234111, 2020.
  [4] F. Herrera and J. Owrutsky, J. Chem. Phys. 152, 100902, 2020.
  [5] F. Hernández and F. Herrera, J. Chem. Phys. 151, 144116, 2019.

  Presenters

  • Felipe Herrera

    • Univ de Santiago de Chile

  Authors

  • Felipe Herrera

    • Univ de Santiago de Chile

  • Johan F Triana

    • Univ de Santiago de Chile

  • Mauricio Arias

    • Universidad de Concepción

  • Jun Nishida

    • University of Colorado, Boulder

  • Markus B Raschke

    • University of Colorado, Boulder

  • Roland Wilcken

    • University of Colorado Boulder

  • Eric Muller

    • Colgate University

  • Samuel C Johnson

    • University of Colorado, Boulder

  • Aldo Delgado

    • Universidad de Concepción

  View abstract →