{
  "abstract": "While Variational Quantum Eigensolver (VQE) variants are among leading candidates for electronic structure calculations on quantum computers, gradient-based operator selection limits their scalability. To solve this, we introduce the Hamiltonian-gradient-free VULCAN (Variational Upbuilding, Layered Compression, Adaptive N-body perturbation) layered VQE framework. Our method dynamically generates ansatz operators using Variational Double Bracket Flow (VDBF) equations. Combined with a linearly scaling minimal complete pool, it creates a pool 4-12 times smaller than QEB (Qubit-Excitation-Based) pools. By appending entire layers simultaneously, Hamiltonian gradient measurements are completely eliminated. Circuit depth is managed via a grow-then-compress scheme using efficient state-overlap measurements, and qubit requirements are reduced by projecting the Hamiltonian onto a dominant-determinant subspace. Using high-performance emulation up to 32 logical qubits, we achieve chemical accuracy at just 5-20% of the measurement cost of batched ADAPT-VQE for hydrogen chains, BeH2 and H2O. For the 32-qubit C3H6, where batched ADAPT-VQE does not reach chemical accuracy, a single VULCAN layer combined with a GPU-accelerated stochastic Epstein-Nesbet (ENPT2) correction does. This stochastic ENPT2 post-processing step enables early termination at chemical accuracy.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.40561",
  "author_total": 6,
  "authors": [
    {
      "name": "Hugo D. Nogueira"
    },
    {
      "name": "Siwar Badreddine"
    },
    {
      "name": "Olivier Adjoua"
    },
    {
      "name": "Diata Traore"
    },
    {
      "name": "Guillaume Michel"
    },
    {
      "name": "Jean-Philip Piquemal"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/a23662fzzxqjd.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.40561",
  "fulltext_url": null,
  "id": "a23662fzzxqjd",
  "issns": [],
  "landing_url": "https://hal.science/hal-05844789v1",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "arxiv",
      "quant-ph"
    ],
    [
      "hal",
      "0.chim"
    ],
    [
      "hal",
      "0.phys"
    ],
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      "hal",
      "1.chim.theo"
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    [
      "hal",
      "1.phys.qphy"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2610.40561",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-29",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/a23662fzzxqjd.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:03Z",
      "native_id": "hal-05844789",
      "source": "hal",
      "url": "https://hal.science/hal-05844789v1"
    },
    {
      "first_seen": "2026-10-30T12:36:28Z",
      "native_id": "2610.40561",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.40561"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "chemistry",
      "origin": "hal:1.chim.theo",
      "subfield": "theoretical"
    },
    {
      "field": "physics",
      "origin": "arxiv:quant-ph",
      "subfield": "quantum"
    }
  ],
  "title": "Grow, Compress, and Perturb: A Hybrid Quantum-Classical Pathway to Scalable Quantum Chemistry on Quantum Computers",
  "title_text": "Grow, Compress, and Perturb: A Hybrid Quantum-Classical Pathway to Scalable Quantum Chemistry on Quantum Computers",
  "type": "preprint",
  "updated_at": "2026-11-05T15:20:21Z",
  "url": "https://research.draconitic.com/paper/a23662fzzxqjd",
  "venue": "HAL",
  "versions": []
}