Advances in Quantum Algorithms for Molecular Simulation

Presentations

• Simulating unimolecular fluoromethane decomposition on a quantum computer with the cascaded variational quantum eigensolver algorithm

  ORAL

  March 16, 2026, 8:00 AM – March 16, 2026, 8:12 AM

  Presenters

  • Gloria Bazargan

    • U.S. Naval Research Laboratory
    • United States Naval Research Laboratory (NRL)

  Authors

  • Gloria Bazargan

    • U.S. Naval Research Laboratory
    • United States Naval Research Laboratory (NRL)

  • John P Stenger

    • U.S. Naval Research Laboratory
    • United States Naval Research Laboratory

  • Daniel Gunlycke

    • U.S. Naval Research Laboratory
    • United States Naval Research Laboratory

  View abstract →

• Choosing a guiding state for the CVQE algorithm based on a probability distribution analysis

  ORAL

  March 16, 2026, 8:12 AM – March 16, 2026, 8:24 AM

  Presenters

  • Yi-Hua Lai

    • Naval Research Laboratory

  Authors

  • Yi-Hua Lai

    • Naval Research Laboratory

  • John P Stenger

    • U.S. Naval Research Laboratory
    • United States Naval Research Laboratory

  • Gloria Bazargan

    • United States Naval Research Laboratory

  • Igor V Schweigert

    • United States Naval Research Laboratory

  • Daniel Gunlycke

    • U.S. Naval Research Laboratory
    • United States Naval Research Laboratory

  View abstract →

• Efficient Low-Depth UCC Algorithm for Strongly Correlated Systems

  ORAL

  March 16, 2026, 8:24 AM – March 16, 2026, 8:36 AM

  Presenters

  • Jeremy Canfield

    • Georgetown University

  Authors

  • Jeremy Canfield

    • Georgetown University

  • James Freericks

    • Georgetown University

  • Dominika Zgid

    • University of Michigan

  View abstract →

• A new gold standard: using perturbation theory to improve upon the unitary coupled cluster ansatz

  ORAL

  March 16, 2026, 8:36 AM – March 16, 2026, 8:48 AM

  Publication: 10.1063/5.0202567, 10.1021/acs.jpca.4c03935, 10.48550/arXiv.2508.09840, 10.48550/arXiv.2509.05184

  Presenters

  • Daniel Claudino

    • Oak Ridge National Laboratory

  Authors

  • Daniel Claudino

    • Oak Ridge National Laboratory

  • Zachary W Windom

    • Oak Ridge National Laboratory

  • Rodney Bartlett

    • University of Florida

  • Luke Wilbert Bertels

    • Oak Ridge National Laboratory

  View abstract →

• Mitigating noise-induced barren plateaus using non-unitary ansatz

  ORAL

  March 16, 2026, 8:48 AM – March 16, 2026, 9:00 AM

  Presenters

  • Sasanka Dowarah

    • University of Texas at Dallas

  Authors

  • Sasanka Dowarah

    • University of Texas at Dallas

  • Abeda S Shamma

    • The University of Texas at Dallas

  • Yazdan Maghsoud

    • The University of Texas at Dallas, Baylor College of Medicine

  • Gerardo A Cisneros

    • The University of Texas at Dallas

  • Michael Kolodrubetz

    • University of Texas at Dallas

  View abstract →

• Quantum Algorithms Meet AI for Quantum State Preparation

  ORAL

  March 16, 2026, 9:00 AM – March 16, 2026, 9:12 AM

  Presenters

  • Marwa Farag

    • NVIDIA

  Authors

  • Marwa Farag

    • NVIDIA

  • Alex Koziell-Pipe

    • Quantinuum

  • Andrew Tranter

    • Quantinuum

  • Carlo Gaggioli

    • Quantinuum

  • David Muñoz Ramo

    • Quantinuum Ltd
    • Quantinuum

  • Enrico Rinaldi

    • KTH Royal Institute of Technology
    • Quantinuum

  • Eric Brunner

    • Quantinuum

  • Fabian Finger

    • Quantinuum

  • Jasmine Brewer

    • Quantinuum Ltd.
    • Quantinuum

  • Jem Guhit

    • Quantinuum

  • Kripa Panchagnula

    • Quantinuum

  • Ludmila Szulakowska

    • Quantinuum

  • Ollie Backhouse

    • Quantinuum

  • Steve Clark

    • Quantinuum

  • Thomas Soini

    • Quantinuum

  • Elica Kyoseva

    • NVIDIA Corporation
    • NVIDIA

  • Christos Papalitsas

    • Pfizer

  • Jasson Mustakis

    • Pfizer

  • Gabriel Laude

    • Quantinuum

  View abstract →

• Non-contextual Quantum Chemistry

  ORAL

  March 16, 2026, 9:12 AM – March 16, 2026, 9:24 AM

  Publication: Noncontextual Pauli Hamiltonians, Alexis Ralli et al 2025 J. Phys. A: Math. Theor. 58 335301
  DOI 10.1088/1751-8121/adf677

  Presenters

  • Peter J Love

    • Tufts University

  Authors

  • Peter J Love

    • Tufts University

  • Alexis Ralli

    • QMatter
    • QMatter, Inc.

  • Timothy Weaving

    • QMatter, Inc.

  View abstract →

• New Submission: Subspace corrections to quantum ansatzes

  ORAL

  March 16, 2026, 9:24 AM – March 16, 2026, 9:36 AM

  Presenters

  • Prince F Kwao

    • University of North Dakota

  Authors

  • Prince F Kwao

    • University of North Dakota

  • Ayush Asthana

    • University of North Dakota

  • Srivathsan Poyyapakkam Sundar

    • University of North Dakota

  View abstract →

• Efficient and Noise-Resilient Molecular Quantum Simulation with the Generalized Superfast Encoding

  ORAL

  March 16, 2026, 9:36 AM – March 16, 2026, 9:48 AM

  Publication: Efficient and Noise-Resilient Molecular Quantum Simulation with the Generalized Superfast Encoding (planned paper)

  Presenters

  • James Brown

    • qBraid co.

  Authors

  • James Brown

    • qBraid co.

  • Tarini Shekhar Hardikar

    • qBraid

  • Kenneth IJ Heitritter

    • qBraid Co.

  • Kanav Setia

    • qBraid
    • qBraid co.

  View abstract →

• Ground and excited-state energies with analytic errors and short time evolution on a quantum computer

  ORAL · Invited

  March 16, 2026, 9:48 AM – March 16, 2026, 10:24 AM

  Publication: Stroschein, T.; Castaldo, D.; Reiher, M. Ground and excited-state energies with an-
  alytic errors and short time evolution on a quantum computer. arXiv preprint arXiv:
  2507.15148 2025.
  
  Timothy Stroschein. An Approximation Framework for Subspace-based Methods in
  Spectral Analysis with Accuracy Guarantees. arXiv preprint arXiv:2505.07513, 2025.
  
  Timothy Stroschein. Prolate Spheroidal Wave Functions and the Accuracy and Di-
  mensionality of Spectral Analysis. arXiv preprint arXiv:2409.16584, 2024.

  Presenters

  • Timothy Stroschein

    • ETH Zurich

  Authors

  • Timothy Stroschein

    • ETH Zurich

  • Davide Castaldo

    • ETH Zurich

  • Markus Reiher

    • ETH Zurich

  View abstract →

• A Quantum Phase Estimation Toolbox

  ORAL

  March 16, 2026, 10:24 AM – March 16, 2026, 10:36 AM

  Presenters

  • Carlos Ramos Marimon

    • Quobly

  Authors

  • Thibaud Louvet

    • Quobly

  • Calvin Ku

    • Hon Hai Research Institute

  • Yu-Cheng Chen

    • Hon Hai Research Institute

  • Carlos Ramos Marimon

    • Quobly

  • Tristan Meunier

    • Quobly
    • Quobly, Grenoble

  • Min-Hsiu Hsieh

    • Hon Hai Research Institute

  • Benoit Vermersch

    • Quobly, Grenoble
    • Quobly

  View abstract →

• The FLuid Allocation of Surface code Qubits (FLASQ) cost model for early fault-tolerant quantum algorithms

  ORAL

  March 16, 2026, 10:36 AM – March 16, 2026, 10:48 AM

  Publication: Preprint with the same title available at https://arxiv.org/abs/2511.08508
  

  Presenters

  • William J Huggins

    • Google LLC

  Authors

  • William J Huggins

    • Google LLC

  • Tanuj Khattar

    • Google LLC

  • Amanda Xu

    • University of Wisconsin - Madison

  • Matthew Harrigan

    • Google LLC

  • Christopher Kang

    • University of Chicago

  • Guang Hao Low

    • Google LLC

  • Nicholas C Rubin

    • Google LLC

  • Ryan Babbush

    • Google LLC

  View abstract →