phase2: Full-State Vector Simulation of Quantum Time Evolution at Scale

phase2: Full-State Vector Simulation of Quantum Time Evolution at Scale | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article phase2: Full-State Vector Simulation of Quantum Time Evolution at Scale Marek Miller, Jakob Günther, Freek Witteveen, Matthew Teynor, and 4 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6620681/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted You are reading this latest preprint version Abstract Large-scale classical simulation of quantum computers is crucial for benchmarking quantum algorithms, establishing boundaries of quantum advantage and exploring heuristic quantum algorithms. We present a full-state vector simulation algorithm and software implementation designed to perform HPC simulation of layers of rotations around a string of Pauli operators. We demonstrate robust scalability of the simulation method on large distributed CPU and GPU systems. Our distributed computation harnessed up to 16384 CPU cores and 512 NVIDIA H100 GPUs, using 32 TB of memory. The simulator significantly outperforms other high-performance libraries, showing a typical speedup of 10-100 for large-scale multi-GPU workloads. As a first application of our approach, we report a numerical experiment aimed at simulating exactly Hamiltonian dynamics of up to 40 qubits to investigate the Trotter error for a quantum chemistry problem. Bounding the Trotter error is important for evaluating the cost of quantum algorithms for chemistry, and rigorous bounds are often conservative, as our simulations confirm. Our software, specifically designed for quantum time evolution applications, is also well equipped to manage circuits that utilize standard gate sets. Physical sciences/Physics/Quantum physics/Quantum simulation Physical sciences/Mathematics and computing/Software Physical sciences/Mathematics and computing/Computational science Full Text Additional Declarations There is NO Competing Interest. Cite Share Download PDF Status: Under Review Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-6620681","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":473219471,"identity":"3fec0275-d47d-40d8-9d1d-ff71110fa8fa","order_by":0,"name":"Marek 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