Quantum-Centric Algorithm for Sample-Based Krylov Diagonalization
Jeffery Yu, Javier Robledo Moreno, Joseph T. Iosue, Luke Bertels, Daniel Claudino, Bryce Fuller, Peter Groszkowski, Travis S. Humble, Petar Jurcevic, William Ki… 展开作者
Jeffery Yu, Javier Robledo Moreno, Joseph T. Iosue, Luke Bertels, Daniel Claudino, Bryce Fuller, Peter Groszkowski, Travis S. Humble, Petar Jurcevic, William Kirby, Thomas A. Maier, Mario Motta, Bibek Pokharel, Alireza Seif, Amir Shehata, Kevin J. Sung, Minh C. Tran, Vinay Tripathi, Antonio Mezzacapo, Kunal Sharma
Approximating the ground state of many-body systems is a key computational bottleneck underlying important applications in physics and chemistry. The most widely known quantum algorithm for ground state approximation, quantum phase estimation, is out of reach of current quantum processors due to its high circuit-depths. Subspace-based quantum diagonalization methods offer a viable alternative for pre- and early-fault-tolerant quantum computers. Here, we introduce a quantum diagonalization algorithm which combines two key ideas on quantum subspaces: a classical diagonalization based on quantum samples, and subspaces constructed with quantum Krylov states. We prove that our algorithm converges in polynomial time under the working assumptions of Krylov quantum diagonalization and sparseness of the ground state. We then demonstrate the scalability of our approach by performing the largest ground-state quantum simulation of impurity models using a Heron quantum processors and the Frontier supercomputer. We consider both the single-impurity Anderson model with 41 bath sites, and a system with 4 impurities and 7 bath sites per impurity. Our results are in excellent agreement with Density Matrix Renormalization Group calculations.
Evaluating Sample-Based Krylov Quantum Diagonalization for Heisenberg Models with Applications to Materials Science
Volkswagen AG（大众汽车）；Technical University of Munich（慕尼黑工业大学）；IBM Quantum（IBM量子）；RWTH Aachen（亚琛工业大学）；University of Ulm（乌尔姆大学）；IBM T.J. Watson Research Center（IBM T.J. 沃森研究中心）
Green's Functions from Sample-based Krylov Quantum Diagonalization: An Impurity Solver for Dynamical Mean-Field Theory
Center for Computation and Technology, Louisiana State University（路易斯安那州立大学计算与技术中心）；Department of Physics, The Pennsylvania State University（宾夕法尼亚州立大学物理系）；Department of Physics and Astronomy, Louisiana State University（路易斯安那州立大学物理与天文学系）
Quantum chemistry with provable convergence via randomized sample-based Krylov quantum diagonalization
IBM Quantum, IBM Research Europe - Zurich（IBM量子，IBM欧洲苏黎世研究实验室）；Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院物理研究所）；Institute for Theoretical Physics, ETH Zürich（苏黎世联邦理工学院理论物理研究所）；The Hartree Centre, STFC（哈特里中心，STFC）；Yusuf Hamied Department of Chemistry, University of Cambridge（剑桥大学尤素福·哈米德化学系）；Max Planck Institute for Solid State Research（马克斯·普朗克固体研究所）；IBM T.J. Watson Research Center（IBM托马斯·J·沃森研究中心）
Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging
Boeing Research & Technology（波音研究与技术）；IBM Quantum, IBM Almaden Research Center（IBM量子，IBM阿尔马登研究中心）；IBM Quantum, IBM T. J. Watson Research Center（IBM量子，IBM托马斯·J·沃森研究中心）
A New Angle on Quantum Subspace Diagonalization for Quantum Chemistry
Next Generation Computing, BASF SE（巴斯夫股份公司下一代计算部门）；The Volgenau Department of Physics, United States Naval Academy（美国海军学院沃尔格瑙物理系）；Department of Physics, Harvard University（哈佛大学物理系）
Quantum Folding in Chebyshev-Based Quantum Subspace Diagonalization
Institute for Convergence Research and Education in Advanced Technology, Yonsei University（延世大学先进技术与教育融合研究所）；Department of Quantum Information, Graduate School, Yonsei University（延世大学研究生院量子信息系）；Research Center for Advanced Optics and Photoelectronics, Department of Physics, College of Science, Shantou University（汕头大学理学院物理系先进光学与光电子学研究中心）；Beijing Computational Science Research Center（北京计算科学研究中心）；Department of Physics, Beijing Normal University（北京师范大学物理系）；Department of Physics, Korea University（高丽大学物理系）
Filter-assisted quantum subspace diagonalization via wavefunction sparsity engineering
RIKEN Center for Computational Science (R-CCS)（理化学研究所计算科学中心）；RIKEN Center for Quantum Computing (RQC)（理化学研究所量子计算中心）；RIKEN Pioneering Research Institute (PRI)（理化学研究所先导研究本部）；RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所新物质科学中心）
Exploring pathways towards quantum advantage in quantum chemistry: the case of a molecule with half-Möbius topology
IBM Research Europe – Zurich（IBM 欧洲苏黎世研究中心）；École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）；Éidgenössische Technische Hochschule Zürich (ETHZ)（苏黎世联邦理工学院）；University of Regensburg（雷根斯堡大学）；The University of Manchester（曼彻斯特大学）；Oxford University（牛津大学）
Observation of Improved Accuracy over Classical Sparse Ground-State Solvers using a Quantum Computer
IBM Quantum（IBM量子）；T. J. Watson Research Center（T.J.沃森研究中心）；IBM Research Cambridge（IBM剑桥研究院）；IBM Research Silicon Valley（IBM硅谷研究院）；IBM Research Europe（IBM欧洲研究院）；Pritzker School of Molecular Engineering, The University of Chicago（芝加哥大学普里茨克分子工程学院）；IBM France Lab（IBM法国实验室）
