Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science

Quantum Physics arXiv:2512.17141 (quant-ph) [Submitted on 19 Dec 2025] Title:Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science Authors:Roman Firt, Neel Misciasci, Jonathan E. Mueller, Triet Friedhoff, Chinonso Onah, Aaron Schulze, Sarah Mostame View a PDF of the paper titled Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science, by Roman Firt and 6 other authors View PDF HTML (experimental) Abstract:We evaluate the Sample-based Krylov Quantum Diagonalization (SKQD) algorithm on one- and two-dimensional Heisenberg models, including strongly correlated regimes in which the ground state is dense. Using problem-informed initial states and magnetization-sector sweeps, SKQD accurately reproduces ground-state energies and field-dependent magnetization across a range of anisotropies. Benchmarks against DMRG and exact diagonalization show consistent qualitative agreement, with accuracy improving systematically in more anisotropic regimes. We further demonstrate SKQD on quantum hardware by implementing 18- and 30-qubit Heisenberg chains, obtaining magnetization curves that match theoretical expectations. Simulations on small 2D square-lattice systems further demonstrate that the method applies effectively beyond 1D geometries. Comments: Subjects: Quantum Physics (quant-ph); Materials Science (cond-mat.mtrl-sci) Cite as: arXiv:2512.17141 [quant-ph] (or arXiv:2512.17141v1 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2512.17141 Focus to learn more arXiv-issued DOI via DataCite (pending registration) Submission history From: Sarah Mostame [view email] [v1] Fri, 19 Dec 2025 00:29:06 UTC (74 KB) Full-text links: Access Paper: View a PDF of the paper titled Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science, by Roman Firt and 6 other authorsView PDFHTML (experimental)TeX Source view license Current browse context: quant-ph new | recent | 2025-12 Change to browse by: cond-mat cond-mat.mtrl-sci References & Citations INSPIRE HEP NASA ADSGoogle Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer (What is the Explorer?) Connected Papers Toggle Connected Papers (What is Connected Papers?) Litmaps Toggle Litmaps (What is Litmaps?) scite.ai Toggle scite Smart Citations (What are Smart Citations?) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv (What is alphaXiv?) Links to Code Toggle CatalyzeX Code Finder for Papers (What is CatalyzeX?) DagsHub Toggle DagsHub (What is DagsHub?) GotitPub Toggle Gotit.pub (What is GotitPub?) Huggingface Toggle Hugging Face (What is Huggingface?) Links to Code Toggle Papers with Code (What is Papers with Code?) ScienceCast Toggle ScienceCast (What is ScienceCast?) Demos Demos Replicate Toggle Replicate (What is Replicate?) Spaces Toggle Hugging Face Spaces (What is Spaces?) Spaces Toggle TXYZ.AI (What is TXYZ.AI?) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower (What are Influence Flowers?) Core recommender toggle CORE Recommender (What is CORE?) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs. Which authors of this paper are endorsers? | Disable MathJax (What is MathJax?)