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arXiv 2019年

作者： Zhu, Huangjun Hayashi, Masahito Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China Graduate School of Mathematics Nagoya University Nagoya464-8602 Japan Shenzhen Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China Centre for Quantum Technologies National University of Singapore 3 Science Drive 2 117542 Singapore

Bipartite and multipartite entangled states are of central interest in quantum information processing and foundational studies. Efficient verification of these states, especially in the adversarial scenario, is a key to various applications, including quantum computation, quantum simulation, and quantum networks. However, little is know about this topic in the adversarial scenario. Here we initiate a systematic study of pure-state verification in the adversarial scenario. In particular, we introduce a general method for determining the minimal number of tests required by a given strategy to achieve a given precision. In the case of homogeneous strategies, we can even derive an analytical formula. Furthermore, we propose a general recipe to verifying pure quantum states in the adversarial scenario by virtue of protocols for the nonadversarial scenario. Thanks to this recipe, the resource cost for verifying an arbitrary pure state in the adversarial scenario is comparable to the counterpart for the nonadversarial scenario, and the overhead is at most three times for high-precision verification. Our recipe can readily be applied to efficiently verify bipartite pure states, stabilizer states, hypergraph states, weighted graph states, and Dicke states in the adversarial scenario. This paper is an extended version of the companion paper [1]. Copyright © 2019, The Authors. All rights reserved.

关键词： Quantum chemistry

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Generalized Entanglement Entropies of Quantum Designs

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Physical Review Letters 2018年第13期120卷 130502-130502页

作者： Zi-Wen Liu Seth Lloyd Elton Yechao Zhu Huangjun Zhu Center for Theoretical Physics Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Department of Physics Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Department of Mechanical Engineering Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Institute for Theoretical Physics University of Cologne 50937 Cologne Germany Department of Physics and Center for Field Theory and Particle Physics Fudan University Shanghai 200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai 200433 China State Key Laboratory of Surface Physics Fudan University Shanghai 200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093 China

The entanglement properties of random quantum states or dynamics are important to the study of a broad spectrum of disciplines of physics, ranging from quantum information to high energy and many-body physics. This Letter investigates the interplay between the degrees of entanglement and randomness in pure states and unitary channels. We reveal strong connections between designs (distributions of states or unitaries that match certain moments of the uniform Haar measure) and generalized entropies (entropic functions that depend on certain powers of the density operator), by showing that Rényi entanglement entropies averaged over designs of the same order are almost maximal. This strengthens the celebrated Page’s theorem. Moreover, we find that designs of an order that is logarithmic in the dimension maximize all Rényi entanglement entropies and so are completely random in terms of the entanglement spectrum. Our results relate the behaviors of Rényi entanglement entropies to the complexity of scrambling and quantum chaos in terms of the degree of randomness, and suggest a generalization of the fast scrambling conjecture.

关键词： Many-body localization Quantum cryptography Quantum entanglement Quantum gravity Random matrix theory

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NWChem: Past, present, and future

arXiv

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arXiv 2020年

作者： Aprà, E. Bylaska, E.J. de Jong, W.A. Govind, N. Kowalski, K. Straatsma, T.P. Valiev, M. van Dam, H.J.J. Alexeev, Y. Anchell, J. Anisimov, V. Aquino, F.W. Atta-Fynn, R. Autschbach, J. Bauman, N.P. Becca, J.C. Bernholdt, D.E. Bhaskaran-Nair, K. Bogatko, S. Borowski, P. Boschen, J. Brabec, J. Bruner, A. Cauët, E. Chen, Y. Chuev, G.N. Cramer, C.J. Daily, J. Deegan, M.J.O. Dunning, T.H. Dupuis, M. Dyall, K.G. Fann, G.I. Fischer, S.A. Fonari, A. Früchtl, H. Gagliardi, L. Garza, J. Gawande, N. Ghosh, S. Glaesemann, K. Götz, A.W. Hammond, J. Helms, V. Hermes, E.D. Hirao, K. Hirata, S. Jacquelin, M. Jensen, L. Johnson, B.G. Jónsson, H. Kendall, R.A. Klemm, M. Kobayashi, R. Konkov, V. Krishnamoorthy, S. Krishnan, M. Lin, Z. Lins, R.D. Littlefield, R.J. Logsdail, A.J. Lopata, K. Ma, W. Marenich, A.V. Martin del Campo, J. Mejia-Rodriguez, D. Moore, J.E. Mullin, J.M. Nakajima, T. Nascimento, D.R. Nichols, J.A. Nichols, P.J. Nieplocha, J. Otero-de-la-Roza, A. Palmer, B. Panyala, A. Pirojsirikul, T. Peng, B. Peverati, R. Pittner, J. Pollack, L. Richard, R.M. Sadayappan, P. Schatz, G.C. Shelton, W.A. Silverstein, D.W. Smith, D.M.A. Soares, T.A. Song, D. Swart, M. Taylor, H.L. Thomas, G.S. Tipparaju, V. Truhlar, D.G. Tsemekhman, K. van Voorhis, T. Vázquez-Mayagoitia, Á. Verma, P. Villa, O. Vishnu, A. Vogiatzis, K.D. Wang, D. Weare, J.H. Williamson, M.J. Windus, T.L. Woliński, K. Wong, A.T. Wu, Q. Yang, C. Yu, Q. Zacharias, M. Zhang, Z. Zhao, Y. Harrison, R.J. Pacific Northwest National Laboratory RichlandWA99352 United States Lawrence Berkeley National Laboratory BerkeleyCA94720 United States National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Brookhaven National Laboratory UptonNY11973 United States Argonne Leadership Computing Facility Argonne National Laboratory ArgonneIL60439 United States Intel Corporation Santa ClaraCA95054 United States QSimulate CambridgeMA02139 United States Department of Physics University of Texas at Arlington ArlingtonTX76019 United States Department of Chemistry University at Buffalo State University of New York BuffaloNY14260 United States Department of Chemistry Pennsylvania State University University ParkPA16802 United States Oak Ridge National Laboratory Oak RidgeTN37831 United States Washington University St. LouisMO63130 United States 4G Clinical WellesleyMA02481 United States Faculty of Chemistry Maria Curie-Sklodowska University in Lublin Lublin20-031 Poland Department of Chemistry Iowa State University AmesIA50011 United States J. Heyrovský Institute of Physical Chemistry Academy of Sciences of the Czech Republic Prague 818223 Czech Republic Department of Chemistry and Physics University of Tennessee at Martin MartinTN38238 United States Université libre de Bruxelles BrusselsB-1050 Belgium Facebook Menlo ParkCA94025 United States Institute of Theoretical and Experimental Biophysics Russian Academy of Science Pushchino Moscow142290 Russia Department of Chemistry Chemical Theory Center Supercomputing Institute University of Minnesota MinneapolisMN55455 United States SKAO Jodrell Bank Observatory MacclesfieldSK11 9DL United Kingdom Department of Chemistry University of Washington SeattleWA98195 United States Dirac Solutions PortlandOR97229 United States Chemistry Division U. S. Naval Research Laboratory WashingtonDC20375 United States School of Chemistry and Biochemis

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the last few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach and outlook. Copyright © 2020, The Authors. All rights reserved.

关键词： Computational chemistry

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Author Correction: Spatial communication systems across languages reflect universal action constraints

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Nature human behaviour 2024年第1期8卷 181页

作者： Kenny R Coventry Harmen B Gudde Holger Diessel Jacqueline Collier Pedro Guijarro-Fuentes Mila Vulchanova Valentin Vulchanov Emanuela Todisco Maria Reile Merlijn Breunesse Helen Plado Juergen Bohnemeyer Raed Bsili Michela Caldano Rositsa Dekova Katharine Donelson Diana Forker Yesol Park Lekhnath Sharma Pathak David Peeters Gabriella Pizzuto Baris Serhan Linda Apse Florian Hesse Linh Hoang Phuong Hoang Yoko Igari Keerthana Kapiley Tamar Haupt-Khutsishvili Sara Kolding Katri Priiki Ieva Mačiukaitytė Vaisnavi Mohite Tiina Nahkola Sum Yi Tsoi Stefan Williams Shunei Yasuda Angelo Cangelosi Jon Andoni Duñabeitia Ramesh Kumar Mishra Roberta Rocca Jurģis Šķilters Mikkel Wallentin Eglė Žilinskaitė-Šinkūnienė Ozlem Durmaz Incel School of Psychology University of East Anglia Norwich UK. k.coventry@uea.ac.uk. School of Psychology University of East Anglia Norwich UK. Helmholtz Institute Department of Experimental Psychology Utrecht University Utrecht the Netherlands. Hanse-Wissenschaftskolleg Delmenhorst Germany. Department of English Friedrich-Schiller-Universität Jena Jena Germany. Department of Spanish Modern and Classic Philology University of the Balearic Islands Palma Spain. Language Acquisition and Language Processing Lab Department of Language and Literature Norwegian University of Science and Technology Trondheim Norway. Department of Spanish Language Linguistics and Literature Theory University of Seville Seville Spain. Institute of Estonian and General Linguistics University of Tartu Tartu Estonia. Centre for the Arts in Society Leiden University Leiden the Netherlands. Võro Institute Võru Estonia. Department of Linguistics University at Buffalo Buffalo NY USA. Danieli Telerobot Srl Genoa Italy. Istituto Italiano di Tecnologia (IIT) Genoa Italy. Paisii Hilendarski University of Plovdiv Plovdiv Bulgaria. Department of English University of Nevada Reno NV USA. Department of Slavonic Languages and Caucasus Studies Friedrich-Schiller-Universität Jena Jena Germany. Cognitive Science Department of Humanities Social and Political Sciences ETH Zürich Zürich Switzerland. Cognitive Science and Psycholinguistics Lab Central Department of Linguistics Tribhuvan University Kathmandu Nepal. Centre for Neural and Cognitive Sciences School of Medical Sciences University of Hyderabad Hyderabad India. Department of Communication and Cognition TiCC Tilburg University Tilburg the Netherlands. Max Planck Institute for Psycholinguistics Nijmegen the Netherlands. Department of Chemistry University of Liverpool Liverpool UK. Department of Computer Science University of Manchester Manchester UK. Laboratory for Perceptual and Cognitive Systems Faculty of Computing University o

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Enhanced entanglement criterion via symmetric informationally complete measurements

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Physical Review A 2018年第2期98卷 022309-022309页

作者： Jiangwei Shang Ali Asadian Huangjun Zhu Otfried Gühne Beijing Key Laboratory of Nanophotonics and Ultrafine Optoelectronic Systems School of Physics Beijing Institute of Technology Beijing 100081 China Naturwissenschaftlich-Technische Fakultät Universität Siegen Walter-Flex-Straße 3 57068 Siegen Germany Department of Physics Institute for Advanced Studies in Basic Sciences (IASBS) Gava Zang Zanjan 45137-66731 Iran Vienna Center for Quantum Science and Technology Atominstitut TU Wien 1040 Vienna Austria Department of Physics and Center for Field Theory and Particle Physics Fudan University Shanghai 200433 China State Key Laboratory of Surface Physics Fudan University Shanghai 200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai 200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093 China Institute for Theoretical Physics University of Cologne Cologne 50937 Germany

We show that a special type of measurements, called symmetric informationally complete positive operator-valued measures (SIC POVMs), provide a stronger entanglement detection criterion than the computable cross-norm or realignment criterion based on local orthogonal observables. As an illustration, we demonstrate the enhanced entanglement detection power in simple systems of qubit and qutrit pairs. This observation highlights the significance of SIC POVMs for entanglement detection.

关键词： Entanglement detection Quantum entanglement Quantum measurements

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Recent developments in the PySCF program package

arXiv

引用

arXiv 2020年

作者： Sun, Qiming Zhang, Xing Banerjee, Samragni Bao, Peng Barbry, Marc Blunt, Nick S. Bogdanov, Nikolay A. Booth, George H. Chen, Jia Cui, Zhi-Hao Eriksen, Janus Juul Gao, Yang Guo, Sheng Hermann, Jan Hermes, Matthew R. Koh, Kevin Koval, Peter Lehtola, Susi Li, Zhendong Liu, Junzi Mardirossian, Narbe McClain, James D. Motta, Mario Mussard, Bastien Pham, Hung Q. Pulkin, Artem Purwanto, Wirawan Robinson, Paul J. Ronca, Enrico Sayfutyarova, Elvira Scheurer, Maximilian Schurkus, Henry F. Smith, James E.T. Sun, Chong Sun, Shi-Ning Upadhyay, Shiv Wagner, Lucas K. Wang, Xiao White, Alec Whitfield, James Daniel Williamson, Mark J. Wouters, Sebastian Yang, Jun Yu, Jason M. Zhu, Tianyu Berkelbach, Timothy C. Sharma, Sandeep Sokolov, Alexander Yu. Chan, Garnet Kin-Lic AxiomQuant Investment Management LLC Shanghai200120 China Division of Chemistry and Chemical Engineering California Institute of Technology PasadenaCA91125 United States Department of Chemistry and Biochemistry The Ohio State University ColumbusOH43210 United States Beijing National Laboratory for Molecular Sciences State Key Laboratory for Structural Chemistry of Unstable and Stable Species Institute of Chemistry Chinese Academy of Sciences Beijing100190 China Simbeyond B.V. P.O. Box 513 EindhovenNL-5600 MB Netherlands Department of Chemistry Lensfield Road CambridgeCB2 1EW United Kingdom Max Planck Institute for Solid State Research Heisenbergstraße 1 Stuttgart70569 Germany Department of Physics King's College London Strand LondonWC2R 2LS United Kingdom Department of Physics University of Florida GainesvilleFL32611 United States Quantum Theory Project University of Florida GainesvilleFL32611 United States School of Chemistry University of Bristol Cantock's Close BristolBS8 1TS United Kingdom Division of Engineering and Applied Science California Institute of Technology PasadenaCA91125 United States Google Inc. Mountain ViewCA94043 United States FU Berlin Department of Mathematics and Computer Science Arnimallee 6 Berlin14195 Germany TU Berlin Machine Learning Group Marchstr. 23 Berlin10587 Germany Department of Chemistry Chemical Theory Center Supercomputing Institute University of Minnesota 207 Pleasant Street SE MinneapolisMN55455 United States Department of Chemistry and Biochemistry The University of Notre Dame du Lac 251 Nieuwland Science Hall Notre DameIN46556 United States Simune Atomistics S.L. Avenida Tolosa 76 Donostia-San Sebastian Spain HelsinkiFI-00014 Finland Key Laboratory of Theoretical and Computational Photochemistry Ministry of Education College of Chemistry Beijing Normal University Beijing100875 China Department of Chemistry The Johns Hopkins University BaltimoreMD21218 United States AMGEN

PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the development of new methodology and complex computational workflows. The present paper explains the design and philosophy behind PYSCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PYSCF as a development environment. We then summarize the capabilities of PYSCF for molecular and solid-state simulations. Finally, we describe the growing ecosystem of projects that use PYSCF across the domains of quantum chemistry, materials science, machine learning and quantum information science. Copyright © 2020, The Authors. All rights reserved.

关键词： Python

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Gapped boundary theory of the twisted gauge theory model of three-dimensional topological orders

arXiv

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arXiv 2018年

作者： Wang, Hongyu Li, Yingcheng Hu, Yuting Wan, Yidun State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China Department of Physics and Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China Institute for Nanoelectronic devices and Quantum computing Fudan University Shanghai200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China

We extend the twisted gauge theory model of topological orders in three spatial dimensions to the case where the three spaces have two dimensional boundaries. We achieve this by systematically constructing the boundary Hamiltonians that are compatible with the bulk Hamoltonian. Given the bulk Hamiltonian defined by a gauge group G and a four-cocycle ω in the fourth cohomology group of G over U(1), a boundary Hamiltonian can be defined by a subgroup K of G and a three-cochain α in the third cochain group of K over U(1). The boundary Hamiltonian to be constructed must be gapped and invariant under the topological renormalization group flow (via Pachner moves), leading to a generalized Frobenius condition. Given K, a solution to the generalized Frobenius condition specifies a gapped boundary condition. We derive a closed-form formula of the ground state degeneracy of the model on a three-cylinder, which can be naturally generalized to three-spaces with more boundaries. We also derive the explicit ground-state wavefunction of the model on a three-ball. The ground state degeneracy and ground-state wavefunction are both presented solely in terms of the input data of the model, namely, {G, ω, K, α}. Copyright © 2018, The Authors. All rights reserved.

关键词： Hamiltonians

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Anyonic exclusions statistics on surfaces with gapped boundaries

arXiv

引用

arXiv 2018年

作者： Li, Yingcheng Wang, Hongyu Hu, Yuting Wan, Yidun State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China Institute for Nanoelectronic devices and Quantum computing Fudan University Shanghai200433 China Department of Physics Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China

An anyonic exclusion statistics, which generalizes the Bose-Einstein and Fermi-Dirac statistics of bosons and fermions, was proposed by Haldane[1]. When fusion of anyons is involved, certain 'pseudo-species' anyons appear in the exotic statistical weights of non-Abelian anyon systems;however, the meaning and significance of pseudospecies remains an open problem. The relevant past studies had considered only anyon systems without any physical boundary but boundaries often appear in real-life materials. In this paper, we propose an extended anyonic exclusion statistics on surfaces with gapped boundaries, introducing mutual exclusion statistics between anyons as well as the boundary components. Motivated by Refs. [2, 3], we present a formula for the statistical weight of many-anyon states obeying the proposed statistics. Taking the (doubled) Fibonacci topological order as an example, we develop a systematic basis construction for non-Abelian anyons on any Riemann surfaces with gapped boundaries. The basis construction offers a standard way to read off a canonical set of statistics parameters and hence write down the extended statistical weight of the anyon system being studied. The basis construction reveals the meaning of pseudo-species. A pseudo-species has different 'excitation' modes, each corresponding to an anyon species. The 'excitation' modes of pseudo-species corresponds to good quantum numbers of subsystems of a non-Abelian anyon system. This is important because often (e.g., in topological quantum computing) we may be concerned about only the entanglement between such subsystems. Copyright © 2018, The Authors. All rights reserved.

关键词： Statistics

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Entanglement entropy of topological orders with boundaries

arXiv

引用

arXiv 2018年

作者： Chen, Chaoyi Hung, Ling-Yan Li, Yingcheng Wan, Yidun State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China Institute for Nanoelectronic devices and Quantum computing Fudan University Shanghai200433 China Department of Physics Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China

In this paper we explore how non trivial boundary conditions could inuence the entanglement entropy in a topological order in 2+1 dimensions. Specifically we consider the special class of topological orders describable by the quantum double. We will find very interesting dependence of the entanglement entropy on the boundary conditions particularly when the system is non-Abelian. Along the way, we demonstrate a streamlined procedure to compute the entanglement entropy, which is particularly effcient when dealing with systems with boundaries. We also show how this method effciently reproduces all the known results in the presence of anyonic excitations. Copyright © 2018, The Authors. All rights reserved.

关键词： Boundary conditions

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Opportunities for nuclear physics & quantum information science

arXiv

引用

arXiv 2019年

作者： Cloët, Ian C. Dietrich, Matthew R. Cloët, Ian C. Dietrich, Matthew R. Arrington, John Bazavov, Alexei Bishof, Michael Freese, Adam Gorshkov, Alexey V. Grassellino, Anna Hafidi, Kawtar Jacob, Zubin McGuigan, Michael Meurice, Yannick Meziani, Zein-Eddine Mueller, Peter Muschik, Christine Osborn, James Otten, Matthew Petreczky, Peter Polakovic, Tomas Poon, Alan Pooser, Raphael Roggero, Alessandro Saffman, Mark VanDevender, Brent Zhang, Jiehang Zohar, Erez Physics Division Argonne National Laboratory ArgonneIL60439 United States Department of Computational Mathematics Science and Engineering Michigan State University East LansingMI48824 United States Department of Physics and Astronomy Michigan State University East LansingMI48824 United States Joint Quantum Institute NIST/University of Maryland College ParkMD20742 United States Joint Center for Quantum Information and Computer Science NIST/University of Maryland College ParkMD20742 United States Fermi National Accelerator Laboratory Batavia IL60510 United States Northwestern University EvanstonIL60208 United States Birck Nanotechnology Center and Purdue Quantum Center School of Electrical and Computer Engineering Purdue University West LafayetteIN47906 United States Computational Science Initiative Brookhaven National Laboratory UptonNY11973 United States Department of Physics and Astronomy University of Iowa Iowa CityIA52242 United States Institute for Quantum Computing and Department of Physics and Astronomy University of Waterloo West Waterloo ON Canada ALCF Argonne National Laboratory ArgonneIL60439 United States Nanoscience and Technology Division Argonne National Laboratory ArgonneIL60439 United States Physics Department Brookhaven National Laboratory UptonNY11973 United States Physics and Material Science Divisions Argonne National Laboratory ArgonneIL60439 United States Institute for Nuclear and Particle Astrophysics and Nuclear Science Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Quantum Information Science Group Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Institute for Nuclear Theory University of Washington SeattleWA98195 United States Department of Physics University of Wisconsin MadisonWI53706 United States Pacific Northwest National Laboratory RichlandWA99354 United States Max Planck Institute of Quantum Opti

This whitepaper is an outcome of the workshop Intersections between Nuclear Physics and Quantum Information held at Argonne National laboratory on 28-30 March 2018 [***/npqi2018/]. The workshop brought together 116 national and international experts in nuclear physics and quantum information science to explore opportunities for the two fields to collaborate on topics of interest to the U.S. Department of Energy (DOE) Office of Science, Office of Nuclear Physics, and more broadly to U.S. society and industry. The workshop consisted of 22 invited and 10 contributed talks, as well as three panel discussion sessions. Topics discussed included quantum computation, quantum simulation, quantum sensing, nuclear physics detectors, nuclear many-body problem, entanglement at collider energies, and lattice gauge theories. Copyright © 2019, The Authors. All rights reserved.

关键词： Lattice theory

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