Quantum computational chemistry

Cites (415)

Items 401–511 of 511

1. Computational Complexity of Time-Dependent Density Functional Theory
   Whitfield, J, Yung, M-H, Tempel, David Gabriel, Boixo, S, Alán Aspuru‐Guzik · 2014 · Digital Access to Scholarship at Harvard (DASH) (Harvard University)
2. Symmetry adaptation in quantum chemistry calculations on a quantum computer
   Ilya G. Ryabinkin, Scott N. Genin · 2018 · arXiv (Cornell University)
3. ADAPT-VQE: An exact variational algorithm for fermionic simulations on a quantum computer
   Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, Nicholas J. Mayhall · 2018 · arXiv (Cornell University)
4. A Method to Calculate Correlation for Density Functional Theory on a Quantum Processor
   Ryan Hatcher, J. A. Kittl, Bowen, Christopher · 2019 · arXiv (Cornell University)
5. Quantum information and computation for chemistry.
   S Abre K Ais, Stuart A. Rice, Aaron R. Dinner · 2014
6. Quantum Computing for Molecular Vibronic Spectra and Gaussian Boson Sampling
   Seungbeom Chin, Joonsuk Huh · 2018 · Journal of Physics Conference Series
7. Self-consistent tomography of temporally correlated errors
   Mingxia Huo, Ying Li · 2018 · arXiv (Cornell University)
8. Phase estimation with randomized Hamiltonians
   Ian Kivlichan, Christopher Granade, Nathan Wiebe · 2019 · arXiv (Cornell University)
9. Subspace-search variational quantum eigensolver for excited states
   Ken M. Nakanishi, Kosuke Mitarai, Keisuke Fujii · 2018 · arXiv (Cornell University)
10. Faster ground state preparation and high-precision ground energy estimation with fewer qubits
    Yimin Ge, Jordi Tura, J. I. Cirac · 2017 · arXiv (Cornell University)
11. Faster Phase Estimation
    Krysta M. Svore, Matthew B. Hastings, Michael Hartley Freedman · 2013 · arXiv (Cornell University)
12. Young frames for quantum chemistry
    Sahil Gulania, James Daniel Whitfield · 2019 · arXiv (Cornell University)
13. Quantum computing approach to non-relativistic and relativistic molecular energy calculations
    Libor Veis, Jiřı́ Pittner · 2012 · arXiv (Cornell University)
14. Discontinuous Galerkin discretization for quantum simulation of chemistry
    Jarrod R. McClean, Fabian M. Faulstich, Zhu, Qinyi, Bryan O’Gorman, Yiheng Qiu, Steven R. White, Ryan Babbush, Lin Lin · 2019 · arXiv (Cornell University)
15. Quantum simulation of a triatomic chemical reaction with ultracold atoms on a waveguide
    E. Torrontegui, A. Ruschhaupt, David Guéry-Odelin · 2011 · arXiv (Cornell University)
16. Back to the Future: A roadmap for quantum simulation from vintage quantum chemistry
    Peter J. Love · 2012 · arXiv (Cornell University)
17. Unified views of quantum simulation algorithms for chemistry
    James Daniel Whitfield · 2015 · arXiv (Cornell University)
18. Revising measurement process in the variational quantum eigensolver: Is it possible to reduce the number of separately measured operators?
    Artur F. Izmaylov, Tzu-Ching Yen, Ilya G. Ryabinkin · 2018 · arXiv (Cornell University)
19. A Non-Orthogonal Variational Quantum Eigensolver
    William J. Huggins, Joonho Lee, Unpil Baek · 2019 · eScholarship (California Digital Library)
20. Introduction to Quantum Algorithms for Physics and Chemistry
    Yung, Man-Hong, James Daniel Whitfield, Sergio Boixo, David G. Tempel, Alán Aspuru‐Guzik · 2012 · arXiv (Cornell University)
21. Calculation of molecular vibrational spectra on a quantum annealer
    Alexander Teplukhin, Brian K. Kendrick, Dmitri Babikov · 2018 · e-Publications@Marquette (Marquette University)
22. Finding the ground state of the Hubbard model by variational methods on a quantum computer with gate errors
    Jan-Michael Reiner, Frank K. Wilhelm, Gerd Schön, Michael Marthaler · 2018 · Repository KITopen (Karlsruhe Institute of Technology)
23. Majorana loop stabilizer codes for error correction of fermionic quantum simulations
    Jiang, Zhang, McClean, Jarrod, Babbush, Ryan, Hartmut Neven · 2018 · arXiv (Cornell University)
24. Low-depth gradient measurements can improve convergence in variational hybrid quantum-classical algorithms
    Aram Harrow, John Napp · 2019 · arXiv
25. Low-depth circuit ansatz for preparing correlated fermionic states on a quantum computer
    Pierre-Luc Dallaire-Demers, Jonathan Romero, Libor Veis · 2018 · arXiv
26. Efficient quantum measurement of Pauli operators in the presence of finite sampling error
    Ophelia Crawford, Barnaby van Straaten, Daochen Wang · 2019 · arXiv
27. Efficient and Noise Resilient Measurements for Quantum Chemistry on Near-Term Quantum Computers
    William J. Huggins, Jarrod McClean, Nicholas Rubin · 2019 · arXiv
28. Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
    Dominic W. Berry, Craig Gidney, Mario Motta · 2019 · arXiv
29. How to factor 2048 bit RSA integers in 8 hours using 20 million noisy qubits
    Craig Gidney, Martin Ekerå · 2019 · arXiv
30. Quantum computation with universal error mitigation on superconducting quantum processor
    Chao Song, Jing Cui, H. Wang, J. Hao, H. Feng, Ying Li · 2018 · arXiv
31. Error-Mitigated Quantum Gates Exceeding Physical Fidelities in a Trapped-Ion System
    Shuaining Zhang, Yao Lu, Kuan Zhang, Wentao Chen, Ying Li, Jing-Ning Zhang, Kihwan Kim · 2019 · arXiv
32. Quantum Computing in the NISQ era and beyond
    John Preskill · 2018 · arXiv
33. Accounting for Errors in Quantum Algorithms via Individual Error Reduction
    Matthew Otten, Stephen Gray · 2018 · arXiv
34. Analog quantum chemistry simulation
    J. Argüello-Luengo, A. González-Tudela, T. Shi, P. Zoller, J. I. Cirac · 2018 · arXiv
35. Quantum Simulation of Chemistry with Sublinear Scaling in Basis Size
    Ryan Babbush, Dominic W. Berry, Jarrod R. McClean, Hartmut Neven · 2018 · arXiv
36. Molecular Docking with Gaussian Boson Sampling
    Leonardo Banchi, Mark Fingerhuth, Tomas Babej, Christopher Ing, Juan Miguel Arrazola · 2019 · arXiv
37. Time-dependent Hamiltonian simulation with $L^1$-norm scaling
    Dominic W. Berry, Andrew M. Childs, Yuan Su, Xin Wang, Nathan Wiebe · 2019 · arXiv
38. Nearly Optimal Measurement Scheduling for Partial Tomography of Quantum States
    Xavier Bonet-Monroig, Ryan Babbush, Thomas E. O'Brien · 2019 · arXiv
39. Low-cost error mitigation by symmetry verification
    X. Bonet-Monroig, R. Sagastizabal, M. Singh, T. E. O'Brien · 2018 · arXiv
40. Noise-robust exploration of many-body quantum states on near-term quantum devices
    Johannes Borregaard, Matthias Christandl, Daniel Stilck França · 2019 · arXiv
41. Resource Estimation for Quantum Variational Simulations of the Hubbard Model
    Zhenyu Cai · 2019 · arXiv
42. A random compiler for fast Hamiltonian simulation
    Earl Campbell · 2018 · arXiv
43. Demonstration of Adiabatic Variational Quantum Computing with a Superconducting Quantum Coprocessor
    Ming-Cheng Chen, Ming Gong, Xiao-Si Xu, Xiao Yuan, Jian-Wen Wang, Can Wang, Chong Ying, Jin Lin, Yu Xu, Yulin Wu et al. · 2019 · arXiv
44. Toward the first quantum simulation with quantum speedup
    Andrew M. Childs, Dmitri Maslov, Yunseong Nam, Neil J. Ross, Yuan Su · 2017 · arXiv
45. Faster quantum simulation by randomization
    Andrew M. Childs, Aaron Ostrander, Yuan Su · 2018 · arXiv
46. Nearly optimal lattice simulation by product formulas
    Andrew M. Childs, Yuan Su · 2019 · arXiv
47. Quantum Computing for Molecular Vibronic Spectra and Gaussian Boson Sampling
    Seungbeom Chin, Joonsuk Huh · 2018 · arXiv
48. Approximating Vibronic Spectroscopy with Imperfect Quantum Optics
    William R. Clements, Jelmer J. Renema, Andreas Eckstein, Antonio A. Valido, Adriana Lita, Thomas Gerrits, Sae Woo Nam, W. Steven Kolthammer, Joonsuk Huh, Ian A. Walmsley · 2017 · arXiv
49. Quantum Overlapping Tomography
    Jordan Cotler, Frank Wilczek · 2019 · arXiv
50. Practical Quantum Error Mitigation for Near-Future Applications
    Suguru Endo, Simon C. Benjamin, Ying Li · 2017 · arXiv
51. Variational quantum algorithms for discovering Hamiltonian spectra
    Suguru Endo, Tyson Jones, Sam McArdle, Xiao Yuan, Simon Benjamin · 2018 · arXiv
52. Variational quantum simulation of general processes
    Suguru Endo, Jinzhao Sun, Ying Li, Simon Benjamin, Xiao Yuan · 2018 · arXiv
53. Mitigating algorithmic errors in Hamiltonian simulation
    Suguru Endo, Qi Zhao, Ying Li, Simon Benjamin, Xiao Yuan · 2018 · arXiv
54. Gate-efficient simulation of molecular eigenstates on a quantum computer
    Marc Ganzhorn, Daniel J. Egger, Panagiotis Kl. Barkoutsos, Pauline Ollitrault, Gian Salis, Nikolaj Moll, Andreas Fuhrer, Peter Mueller, Stefan Woerner, Ivano Tavernelli et al. · 2018 · arXiv
55. An initialization strategy for addressing barren plateaus in parametrized quantum circuits
    Edward Grant, Leonard Wossnig, Mateusz Ostaszewski, Marcello Benedetti · 2019 · arXiv
56. Is the Trotterized UCCSD Ansatz chemically well-defined?
    Harper R. Grimsley, Daniel Claudino, Sophia E. Economou, Edwin Barnes, Nicholas J. Mayhall · 2019 · arXiv
57. An adaptive variational algorithm for exact molecular simulations on a quantum computer
    Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, Nicholas J. Mayhall · 2018 · arXiv
58. Quantum algorithm for simulating real time evolution of lattice Hamiltonians
    Jeongwan Haah, Matthew B. Hastings, Robin Kothari, Guang Hao Low · 2018 · arXiv
59. Variational Quantum Computation of Excited States
    Oscar Higgott, Daochen Wang, Stephen Brierley · 2018 · arXiv
60. Optimal fermion-to-qubit mapping via ternary trees with applications to reduced quantum states learning
    Zhang Jiang, Amir Kalev, Wojciech Mruczkiewicz, Hartmut Neven · 2019 · arXiv
61. Quantum-classical simulation of two-site dynamical mean-field theory on noisy quantum hardware
    Trevor Keen, Thomas Maier, Steven Johnston, Pavel Lougovski · 2019 · arXiv
62. Simulating the dynamics of time-dependent Hamiltonians with a truncated Dyson series
    Maria Kieferova, Artur Scherer, Dominic Berry · 2018 · arXiv
63. Improved Fault-Tolerant Quantum Simulation of Condensed-Phase Correlated Electrons via Trotterization
    Ian D. Kivlichan, Craig Gidney, Dominic W. Berry, Nathan Wiebe, Jarrod McClean, Wei Sun, Zhang Jiang, Nicholas Rubin, Austin Fowler, Alán Aspuru-Guzik et al. · 2019 · arXiv
64. The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
    Zhendong Li, Junhao Li, Nikesh S. Dattani, C. J. Umrigar, Garnet Kin-Lic Chan · 2018 · arXiv
65. Magic State Distillation: Not as Costly as You Think
    Daniel Litinski · 2019 · arXiv
66. Hamiltonian simulation with nearly optimal dependence on spectral norm
    Guang Hao Low · 2018 · arXiv
67. Hamiltonian Simulation by Qubitization
    Guang Hao Low, Isaac L. Chuang · 2016 · arXiv
68. Quantum Approach to Fast Protein-Folding Time
    Li-Hua Lu, You-Quan Li · 2019 · arXiv
69. VanQver: The Variational and Adiabatically Navigated Quantum Eigensolver
    Shunji Matsuura, Takeshi Yamazaki, Valentin Senicourt, Lee Huntington, Arman Zaribafiyan · 2018 · arXiv
70. A Jastrow-type decomposition in quantum chemistry for low-depth quantum circuits
    Yuta Matsuzawa, Yuki Kurashige · 2019 · arXiv
71. Variational ansatz-based quantum simulation of imaginary time evolution
    Sam McArdle, Tyson Jones, Suguru Endo, Ying Li, Simon Benjamin, Xiao Yuan · 2018 · arXiv
72. Digital quantum simulation of molecular vibrations
    Sam McArdle, Alex Mayorov, Xiao Shan, Simon Benjamin, Xiao Yuan · 2018 · arXiv
73. Error-mitigated digital quantum simulation
    Sam McArdle, Xiao Yuan, Simon Benjamin · 2018 · arXiv
74. Quantum Chemistry as a Benchmark for Near-Term Quantum Computers
    Alexander J. McCaskey, Zachary P. Parks, Jacek Jakowski, Shirley V. Moore, T. Morris, Travis S. Humble, Raphael C. Pooser · 2019 · arXiv
75. Decoding quantum errors with subspace expansions
    Jarrod R. McClean, Zhang Jiang, Nicholas C. Rubin, Ryan Babbush, Hartmut Neven · 2019 · arXiv
76. OpenFermion: The Electronic Structure Package for Quantum Computers
    Jarrod R. McClean, Kevin J. Sung, Ian D. Kivlichan, Yudong Cao, Chengyu Dai, E. Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale, Thomas Häner et al. · 2017 · arXiv
77. Methodology for replacing indirect measurements with direct measurements
    Kosuke Mitarai, Keisuke Fujii · 2019 · arXiv
78. Theory of analytical energy derivatives for the variational quantum eigensolver
    Kosuke Mitarai, Yuya O. Nakagawa, Wataru Mizukami · 2019 · arXiv
79. Calculating energy derivatives for quantum chemistry on a quantum computer
    T. E. O'Brien, B. Senjean, R. Sagastizabal, X. Bonet-Monroig, A. Dutkiewicz, F. Buda, L. DiCarlo, L. Visscher · 2019 · arXiv
80. Quantum phase estimation of multiple eigenvalues for small-scale (noisy) experiments
    T. E. O'Brien, B. Tarasinski, B. M. Terhal · 2018 · arXiv
81. Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
    Pauline J Ollitrault, Abhinav Kandala, Chun-Fu Chen, Panagiotis Kl Barkoutsos, Antonio Mezzacapo, Marco Pistoia, Sarah Sheldon, Stefan Woerner, Jay Gambetta, Ivano Tavernelli · 2019 · arXiv
82. Recovering noise-free quantum observables
    Matthew Otten, Stephen Gray · 2018 · arXiv
83. Compilation by stochastic Hamiltonian sparsification
    Yingkai Ouyang, David R. White, Earl T. Campbell · 2019 · arXiv
84. Orbital optimized unitary coupled cluster theory for quantum computer
    Wataru Mizukami, Kosuke Mitarai, Yuya O. Nakagawa, Takahiro Yamamoto, Tennin Yan, Yu-ya Ohnishi · 2019 · arXiv
85. Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
    Mario Motta, Chong Sun, Adrian Teck Keng Tan, Matthew J. O' Rourke, Erika Ye, Austin J. Minnich, Fernando G. S. L. Brandao, Garnet Kin-Lic Chan · 2019 · arXiv
86. Sequential minimal optimization for quantum-classical hybrid algorithms
    Ken M. Nakanishi, Keisuke Fujii, Synge Todo · 2019 · arXiv
87. Quantum Computation of Electronic Transitions using a Variational Quantum Eigensolver
    Robert M. Parrish, Edward G. Hohenstein, Peter L. McMahon, Todd J. Martinez · 2019 · arXiv
88. Quantum algorithm for calculating molecular vibronic spectra
    Nicolas P. D. Sawaya, Joonsuk Huh · 2018 · arXiv
89. Resource-efficient digital quantum simulation of $d$-level systems for photonic, vibrational, and spin-$s$ Hamiltonians
    Nicolas P. D. Sawaya, Tim Menke, Thi Ha Kyaw, Sonika Johri, Alán Aspuru-Guzik, Gian Giacomo Guerreschi · 2019 · arXiv
90. Superfast encodings for fermionic quantum simulation
    Kanav Setia, Sergey Bravyi, Antonio Mezzacapo, James D. Whitfield · 2018 · arXiv
91. Reducing qubit requirements for quantum simulation using molecular point group symmetries
    Kanav Setia, Richard Chen, Julia E. Rice, Antonio Mezzacapo, Marco Pistoia, James Whitfield · 2019 · arXiv
92. Toward convergence of effective field theory simulations on digital quantum computers
    Omar Shehab, Kevin A. Landsman, Yunseong Nam, Daiwei Zhu, Norbert M. Linke, Matthew J. Keesan, Raphael C. Pooser, Christopher R. Monroe · 2019 · arXiv
93. Quantum Orbital-Optimized Unitary Coupled Cluster Methods in the Strongly Correlated Regime: Can Quantum Algorithms Outperform their Classical Equivalents?
    Igor O. Sokolov, Panagiotis Kl. Barkoutsos, Pauline J. Ollitrault, Donny Greenberg, Julia Rice, Marco Pistoia, Ivano Tavernelli · 2019 · arXiv
94. Observation of multi-component atomic Schrödinger cat states of up to 20 qubits
    Chao Song, Kai Xu, Hekang Li, Yuran Zhang, Xu Zhang, Wuxin Liu, Qiujiang Guo, Zhen Wang, Wenhui Ren, Jie Hao et al. · 2019 · arXiv
95. Resource-Efficient Quantum Algorithm for Protein Folding
    Anton Robert, Panagiotis Kl. Barkoutsos, Stefan Woerner, Ivano Tavernelli · 2019 · arXiv
96. Iterative Qubit Coupled Cluster approach with efficient screening of generators
    Ilya G. Ryabinkin, Robert A. Lang, Scott N. Genin, Artur F. Izmaylov · 2019 · arXiv
97. Error Mitigation by Symmetry Verification on a Variational Quantum Eigensolver
    R. Sagastizabal, X. Bonet-Monroig, M. Singh, M. A. Rol, C. C. Bultink, X. Fu, C. H. Price, V. P. Ostroukh, N. Muthusubramanian, A. Bruno et al. · 2019 · arXiv
98. A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons
    Nicholas H. Stair, Renke Huang, Francesco A. Evangelista · 2019 · arXiv
99. Quantum codes for quantum simulation of Fermions on a square lattice of qubits
    Mark Steudtner, Stephanie Wehner · 2018 · arXiv
100. Quantum Natural Gradient
     James Stokes, Josh Izaac, Nathan Killoran, Giuseppe Carleo · 2019 · arXiv
101. Implementing smooth functions of a Hermitian matrix on a quantum computer
     Sathyawageeswar Subramanian, Steve Brierley, Richard Jozsa · 2018 · arXiv
102. Stochastic gradient descent for hybrid quantum-classical optimization
     Ryan Sweke, Frederik Wilde, Johannes Meyer, Maria Schuld, Paul K. Faehrmann, Barthélémy Meynard-Piganeau, Jens Eisert · 2019 · arXiv
103. Increasing the representation accuracy of quantum simulations of chemistry without extra quantum resources
     Tyler Takeshita, Nicholas C. Rubin, Zhang Jiang, Eunseok Lee, Ryan Babbush, Jarrod R. McClean · 2019 · arXiv
104. Error detection on quantum computers improves accuracy of chemical calculations
     Miroslav Urbanek, Benjamin Nachman, Wibe A. de Jong · 2019 · arXiv
105. Measurement Optimization in the Variational Quantum Eigensolver Using a Minimum Clique Cover
     Vladyslav Verteletskyi, Tzu-Ching Yen, Artur F. Izmaylov · 2019 · arXiv
106. Efficient multiphoton sampling of molecular vibronic spectra on a superconducting bosonic processor
     Christopher S. Wang, Jacob C. Curtis, Brian J. Lester, Yaxing Zhang, Yvonne Y. Gao, Jessica Freeze, Victor S. Batista, Patrick H. Vaccaro, Isaac L. Chuang, Luigi Frunzio et al. · 2019 · arXiv
107. Accelerated Variational Quantum Eigensolver
     Daochen Wang, Oscar Higgott, Stephen Brierley · 2018 · arXiv
108. Exact and approximate symmetry projectors for the electronic structure problem on a quantum computer
     Tzu-Ching Yen, Robert A. Lang, Artur F. Izmaylov · 2019 · arXiv
109. Measuring all compatible operators in one series of a single-qubit measurements using unitary transformations
     Tzu-Ching Yen, Vladyslav Verteletskyi, Artur F. Izmaylov · 2019 · arXiv
110. Measurement reduction in variational quantum algorithms
     Andrew Zhao, Andrew Tranter, William M. Kirby, Shu Fay Ung, Akimasa Miyake, Peter Love · 2019 · arXiv
111. Quantum eigenvalue estimation via time series analysis
     Rolando D. Somma · 2019 · arXiv