Full-quantum variational dynamics simulation for time-dependent Hamiltonians with global spectral discretization
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Quantum Physics arXiv:2603.17062 (quant-ph) [Submitted on 17 Mar 2026] Title:Full-quantum variational dynamics simulation for time-dependent Hamiltonians with global spectral discretization Authors:Minchen Qiao, Zi-Ming Li, Yu-xi Liu View a PDF of the paper titled Full-quantum variational dynamics simulation for time-dependent Hamiltonians with global spectral discretization, by Minchen Qiao and 1 other authors View PDF HTML (experimental) Abstract:The most widely used approach for simulating the dynamics of time-dependent Hamiltonians via quantum computation depends on the quantum-classical hybrid variational quantum time evolution algorithm, in which ordinary differential equations of the variational coefficients for determining time evolution are solved via classical simulations with a time discretization method. We here present a full-quantum approach, in which ordinary differential equations of the variational coefficients are transformed into static linear equations via the Chebyshev spectral discretization method and then solved via the quantum singular value transformation algorithm. Our full quantum algorithm avoids classical feedback, achieves exponential convergence for smooth Hamiltonians, and yields a quantum circuit depth that is independent of the number of time steps. We demonstrate two implementation strategies, with a global formulation designed for fault-tolerant architectures and a sequential formulation tailored to near-term devices, and validate the approach through numerical simulations of proton-hydrogen charge-transfer dynamics, a prototypical time-dependent quantum chemistry problem. This work establishes a systematic pathway from quantum-classical hybrid variational quantum algorithms to full-quantum solvers for general time-dependent Hamiltonians, particularly those whose dynamics admit compact variational descriptions, opening a route toward full quantum computational advantages in time-dependent simulations. Comments: Subjects: Quantum Physics (quant-ph); Atomic Physics (physics.atom-ph) Cite as: arXiv:2603.17062 [quant-ph] (or arXiv:2603.17062v1 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2603.17062 Focus to learn more arXiv-issued DOI via DataCite (pending registration) Submission history From: Minchen Qiao [view email] [v1] Tue, 17 Mar 2026 18:49:26 UTC (185 KB) Full-text links: Access Paper: View a PDF of the paper titled Full-quantum variational dynamics simulation for time-dependent Hamiltonians with global spectral discretization, by Minchen Qiao and 1 other authorsView PDFHTML (experimental)TeX Source view license Current browse context: quant-ph new | recent | 2026-03 Change to browse by: physics physics.atom-ph 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?)