Quantum Molecular Science III

Presentations

• Bexcitonics: quasiparticle approach to open quantum dynamics

  ORAL

  March 18, 2025, 11:00 AM – March 18, 2025, 11:12 AM

  Publication: X. Chen and I. Franco. J. Chem. Phys. 160, 204116 (2024)

  Presenters

  • Xinxian Chen

    University of Rochester

  Authors

  • Xinxian Chen

    University of Rochester

  • Ignacio Franco

    University of Rochester

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• A Permutationally Invariant Model Hamiltonian for Quantum Chemistry: Exploring the Role of Hartree-Fock and Mean-Field Approximations

  ORAL

  March 18, 2025, 11:12 AM – March 18, 2025, 11:24 AM

  Presenters

  • Jason T Necaise

    Dartmouth College

  Authors

  • Jason T Necaise

    Dartmouth College

  • Weishi Wang

    Dartmouth College

  • James D Whitfield

    Dartmouth College

  • Casey Dowdle

    Dartmouth College

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• Calculating the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer

  ORAL

  March 18, 2025, 11:24 AM – March 18, 2025, 11:36 AM

  Publication: Tim Weaving, Alexis Ralli, Peter J. Love, Sauro Succi, & Peter V. Coveney, Contextual Subspace Variational Quantum Eigensolver Calculation of the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer, arXiv preprint arXiv:2312.04392 (2024)

  Presenters

  • Alexis P Ralli

    Tufts University

  Authors

  • Alexis P Ralli

    Tufts University

  • Tim Weaving

    University College London

  • Peter J Love

    Tufts University

  • Sauro Succi

    IAC/NRC, Italian Institute of Technology

  • Peter V Coveney

    University College London

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• Toward a Liquid Analog to an Atomic Vapor Cell

  ORAL · Invited

  March 18, 2025, 11:36 AM – March 18, 2025, 12:12 PM

  Publication: Science 385, 651-656 (2024)<br>Chem. Sci.,15, 12451-12458 (2024)

  Presenters

  • Justin R Caram

    California State University, Los Angeles

  Authors

  • Justin R Caram

    California State University, Los Angeles

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• Qiuantum Algorithms for Quantum Chemistry: Recent Progress in the Hamiltonian Encoding Problem

  ORAL · Invited

  March 18, 2025, 12:12 PM – March 18, 2025, 12:48 PM

  Publication: 1) Majorana Tensor Decomposition: A unifying framework for decompositions of fermionic Hamiltonians to Linear Combination of Unitaries, I Loaiza, AS Brahmachari, AF Izmaylov, arXiv:2407.06571<br><br>2) Guaranteed Global Minimum of Electronic Hamiltonian 1-Norm via Linear Programming in the Block Invariant Symmetry Shift (BLISS) Method, S Patel, AS Brahmachari, JT Cantin, L Wang, AF Izmaylov, arXiv:2409.18277<br><br>3) Probing Quantum Efficiency: Exploring System Hardness in Electronic Ground State Energy Estimation, S Choi, I Loaiza, RA Lang, LA Martínez-Martínez, AF Izmaylov, J. Chem. Theory Comput. 20 (14), 5982-5993 (2024)

  Presenters

  • artur F izmaylov

    University of Toronto Scarborough

  Authors

  • artur F izmaylov

    University of Toronto Scarborough

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• Configurable and adaptive basis sets for molecular electronic structure in the NISQ era

  ORAL

  March 18, 2025, 12:48 PM – March 18, 2025, 1:00 PM

  Presenters

  • Weishi Wang

    Dartmouth College

  Authors

  • Weishi Wang

    Dartmouth College

  • Casey Dowdle

    Dartmouth College

  • Jason T Necaise

    Dartmouth College

  • James D Whitfield

    Dartmouth College

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• Abstract Withdrawn

  ORAL Withdrawn

  March 18, 2025, 1:00 PM – March 18, 2025, 1:12 PM

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