Quantum Computing Quantum Monte Carlo

Quantum Computing Quantum Monte Carlo | 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 Quantum Computing Quantum Monte Carlo Xiao Yuan, Yukun Zhang, Yifei Huang, Jinzhao Sun, Dingshun Lv This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3911065/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates these two methods, inheriting their distinct features in efficient representation and manipulation of quantum states and overcoming their limitations. We first introduce non-stoquasticity indicators (NSIs) and their upper bounds, measuring the severity of the sign problem, the most notable limitation of QMC. Then we introduce the hybrid QC-QMC method by replacing the walkers with quantum states prepared by a shallow quantum circuit. We present an efficient and scalable approach to implement walker propagation in QC-QMC. We show that our algorithm could greatly mitigate the sign problem, which decreases NSIs with the assistance of quantum computing. Meanwhile, the use of quantum Monte Carlo also increases the expressivity of shallow quantum circuits, allowing more accurate computation that is conventionally achievable only with much deeper circuits. We numerically test and verify the method for the N$_2$ molecule (12 qubits) and the Hubbard model (16 qubits). Our work paves the way to solving practical problems with intermediate-scale and early-fault tolerant quantum computers, with potential applications in chemistry, condensed matter physics, materials, high energy physics, etc. Physical sciences/Physics/Quantum physics/Quantum simulation Physical sciences/Mathematics and computing/Computational science Full Text Additional Declarations (Not answered) Supplementary Files supp.pdf Cite Share Download PDF Status: Posted 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. 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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-3911065","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":280634103,"identity":"3eb29cf2-ef8f-4474-b64d-dcf071acc5ea","order_by":0,"name":"Xiao Yuan","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA3ElEQVRIiWNgGAWjYDACZijNz8CGzCVGi2QD0VpgwOAAsVoMjjM/fMzbZpdnfLstTYKhwjqxgf3sAbxaJJvZjI1525KLze4cOybBcCY9sYEnLwGvFn5mBjNp3jbmxG030tskGNsOJzZI8Bjg1cLGzP4NqKU+cfMMkJZ/RGjhZ+YB2XI4cYNE2jEJxgYitEg28xQbzjl3PHHGnWPJFgnH0o3beHLwazE4f3zjgzdl1Yn9s9sMb3yosZbtZz+DXwsIMPGASAkgTgD5jqB6IGD8AdMyCkbBKBgFowAbAAAaVj7a//ojvwAAAABJRU5ErkJggg==","orcid":"https://orcid.org/0000-0003-0205-6545","institution":"Peking University","correspondingAuthor":true,"prefix":"","firstName":"Xiao","middleName":"","lastName":"Yuan","suffix":""},{"id":280634104,"identity":"9a6850bc-6ab0-447f-81dc-da4e4c9e0fa6","order_by":1,"name":"Yukun Zhang","email":"","orcid":"","institution":"Peking University","correspondingAuthor":false,"prefix":"","firstName":"Yukun","middleName":"","lastName":"Zhang","suffix":""},{"id":280634105,"identity":"25819150-1351-42e3-8666-6e58e8324197","order_by":2,"name":"Yifei Huang","email":"","orcid":"https://orcid.org/0000-0003-4981-7452","institution":"ByteDance Ltd.","correspondingAuthor":false,"prefix":"","firstName":"Yifei","middleName":"","lastName":"Huang","suffix":""},{"id":280634106,"identity":"c9189603-2e8b-4d46-b5ed-3a526634df9a","order_by":3,"name":"Jinzhao Sun","email":"","orcid":"","institution":"University of Oxford","correspondingAuthor":false,"prefix":"","firstName":"Jinzhao","middleName":"","lastName":"Sun","suffix":""},{"id":280634107,"identity":"aab444ef-9e08-4ddf-93ed-78eb08016bde","order_by":4,"name":"Dingshun Lv","email":"","orcid":"","institution":"ByteDance Ltd.","correspondingAuthor":false,"prefix":"","firstName":"Dingshun","middleName":"","lastName":"Lv","suffix":""}],"badges":[],"createdAt":"2024-01-30 15:47:48","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-3911065/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-3911065/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":54689386,"identity":"977b48a2-3600-41fa-89c1-fee9c93efe70","added_by":"auto","created_at":"2024-04-15 09:54:53","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1227558,"visible":true,"origin":"","legend":"","description":"","filename":"manu.pdf","url":"https://assets-eu.researchsquare.com/files/rs-3911065/v1_covered_be57d6b5-a982-46cd-b571-155bafd5bd85.pdf"},{"id":53091320,"identity":"2657233d-5dcd-46ef-96bb-cb555b1cd24d","added_by":"auto","created_at":"2024-03-20 12:54:43","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":1547327,"visible":true,"origin":"","legend":"\u003cp\u003e\u003cbr\u003e\u003c/p\u003e","description":"","filename":"supp.pdf","url":"https://assets-eu.researchsquare.com/files/rs-3911065/v1/b16f8569b726050ac3617f20.pdf"}],"financialInterests":"(Not answered)","formattedTitle":"Quantum Computing Quantum Monte Carlo","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"","lastPublishedDoi":"10.21203/rs.3.rs-3911065/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-3911065/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. 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