{
  "abstract": "Validating variational quantum eigensolver (VQE) pipelines on realistic chemical systems is a critical stepping stone toward tackling classically intractable molecules. In this work, we report emulator-based validation of the VQE workflow proposed for the copper active site, executed on the LRZ Eviden Qaptiva emulator. A problem-tailored ADAPT-VQE with a full singles-doubles-triples (S+D+T) pool removes over 99% of the correlation error, reaching a stable plateau at 4.03 mEh relative to exact diagonalisation (148 selected operators). This establishes a >40x improvement over the hardware-efficient ansatz (HEA). Finally, we frame these emulator results as a robust baseline for upcoming physical quantum hardware runs on Euro-Q-Exa.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.20439",
  "author_total": 1,
  "authors": [
    {
      "name": "Lucia Malickova"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/99525c3zsahkm.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.20439",
  "fulltext_url": null,
  "id": "99525c3zsahkm",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.20439",
  "language": null,
  "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",
      "cs.ET"
    ],
    [
      "arxiv",
      "quant-ph"
    ],
    [
      "openalex",
      "1702|Quantum Computing Algorithms and Architecture"
    ]
  ],
  "openalex": "W7213596111",
  "pdf_url": "https://arxiv.org/pdf/2609.20439",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-17",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/99525c3zsahkm.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:22:19Z",
      "native_id": "2609.20439",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.20439"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:quant-ph",
      "subfield": "quantum"
    }
  ],
  "title": "VQE Validation on the Mononuclear T1 (Blue-Copper) Site: A Stepping Stone to the Multi-Copper Laccase Cluster",
  "title_text": "VQE Validation on the Mononuclear T1 (Blue-Copper) Site: A Stepping Stone to the Multi-Copper Laccase Cluster",
  "type": "preprint",
  "updated_at": "2026-10-30T12:22:19Z",
  "url": "https://research.draconitic.com/paper/99525c3zsahkm",
  "venue": "arXiv",
  "versions": []
}