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Quantum chemistry is one of the most promising applications of quantum computers in the near future.
Über das paulische äquivalenzverbot
P. Jordan and E. Wigner · 1928
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Simulating physics with computers
Richard P. Feynman · 1982
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Fractal decomposition of exponential operators with applications to many-body theories and monte carlo simulations
Masuo Suzuki · 1990
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Fermionic quantum computation
Sergey B. Bravyi and Alexei Yu. Kitaev · 2002
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Computational chemistry
Matthias Hofmann and Henry F. Schaefer · 2003
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A coupled cluster and full configuration interaction study of cn and cn-
Lea Thøgersen and Jeppe Olsen · 2004
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Simulated Quantum Computation of Molecular Energies
Alán Aspuru-Guzik, Anthony D Dutoi, Peter J Love, and Martin Head-Gordon · 2005
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New perspectives on unitary coupled-cluster theory
Andrew G. Taube and Rodney J. Bartlett · 2006
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Polynomial-time quantum algorithm for the simulation of chemical dynamics
Ivan Kassal, Stephen P Jordan, Peter J Love, Masoud Mohseni, and Alán Aspuru-Guzik · 2008
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Chapter 11 - systematic study of the electronic properties and trends in the lix (x=na, k, rb, cs and fr) molecules
S. Bellayouni, I. Jendoubi, N. Mabrouk, and H. Berriche · 2014
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A variational eigenvalue solver on a photonic quantum processor
Alberto Peruzzo, Jarrod McClean, Peter Shadbolt, Man-Hong Hong Yung, Xiao-Qi Qi Zhou, Peter J Love, Alán Aspuru-Guzik, Jeremy L. O’Brien, and Jeremy L. O’Brien · 2014
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From transistor to trapped-ion computers for quantum chemistry
M.-H. Yung, J. Casanova, A. Mezzacapo, J. McClean, L. Lamata, A. Aspuru-Guzik, and E. Solano · 2014
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Seniority zero pair coupled cluster doubles theory
Tamar Stein, Thomas M. Henderson, and Gustavo E. Scuseria · 2014
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Boson sampling for molecular vibronic spectra
Joonsuk Huh, Gian Giacomo Guerreschi, Borja Peropadre, Jarrod R. Mcclean, and Alán Aspuru-Guzik · 2015
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Progress towards practical quantum variational algorithms
Dave Wecker, Matthew B. Hastings, and Matthias Troyer · 2015
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Can single-reference coupled cluster theory describe static correlation?
Ireneusz W. Bulik, Thomas M. Henderson, and Gustavo E. Scuseria · 2015
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Scalable quantum simulation of molecular energies
P. J.J. O’Malley, R. Babbush, I. D. Kivlichan, J. Romero, J. R. McClean, R. Barends, J. Kelly, P. Roushan, A. Tranter, N. Ding, B. Campbell, Y. Chen, Z. Chen, B. Chiaro, A. Dunsworth, A. G. Fowler, E. Jeffrey, E. Lucero, A. Megrant, J. Y. Mutus, M. Neeley, C. Neill, C. Quintana, D. Sank, A. Vainsencher, J. Wenner, T. C. White, P. V. Coveney, P. J. Love, H. Neven, A. Aspuru-Guzik, and J. M. Martinis · 2016
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Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets
Abhinav Kandala, Antonio Mezzacapo, Kristan Temme, Maika Takita, Markus Brink, Jerry M. Chow, and Jay M. Gambetta · 2017
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Barren plateaus in quantum neural network training landscapes
Jarrod R. McClean, Sergio Boixo, Vadim N. Smelyanskiy, Ryan Babbush, and Hartmut Neven · 2018
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
Joonho Lee, William J. Huggins, Martin Head-Gordon, and K. Birgitta Whaley · 2019
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qubit-ADAPT-VQE: An adaptive algorithm for constructing hardware-efficient ansätze on a quantum processor
Ho Lun Tang, Edwin Barnes, Harper R. Grimsley, Nicholas J. Mayhall, and Sophia E. Economou · 2019
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Ground-state energy estimation of the water molecule on a trapped-ion quantum computer
Yunseong Nam, Jwo-Sy Chen, Neal C Pisenti, Kenneth Wright, Conor Delaney, Dmitri Maslov, Kenneth R Brown, Stewart Allen, Jason M Amini, Joel Apisdorf, Kristin M Beck, Aleksey Blinov, Vandiver Chaplin, Mika Chmielewski, Coleman Collins, Shantanu Debnath, Kai M Hudek, Andrew M. Ducore, Matthew Keesan, Sarah M Kreikemeier, Jonathan Mizrahi, Phil Solomon, Mike Williams, Jaime David Wong-Campos, David Moehring, Christopher Monroe, and Jungsang Kim · 2020
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Hartree-Fock on a superconducting qubit quantum computer
Google AI Quantum · 2020
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Iterative Qubit Coupled Cluster Approach with Efficient Screening of Generators
Ilya G Ryabinkin, Robert A. Lang, Scott N Genin, and Artur F. Izmaylov · 2020
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Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer
Ilya G. Ryabinkin, Tzu Ching Yen, Scott N. Genin, and Artur F. Izmaylov · 2018
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Quantum circuit learning
K. Mitarai, M. Negoro, M. Kitagawa, and K. Fujii · 2018
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Quantum simulation of electronic structure with linear depth and connectivity
Ian D. Kivlichan, Jarrod McClean, Nathan Wiebe, Craig Gidney, Alán Aspuru-Guzik, Garnet Kin-Lic Chan, and Ryan Babbush · 2018
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An adaptive variational algorithm for exact molecular simulations on a quantum computer
Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, and Nicholas J. Mayhall · 2019
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Low-depth circuit ansatz for preparing correlated fermionic states on a quantum computer
Pierre-Luc Dallaire-Demers, Jonathan Romero, Libor Veis, Sukin Sim, and Alán Aspuru-Guzik · 2019
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Accuracy and Resource Estimations for Quantum Chemistry on a Near-Term Quantum Computer
Michael Kühn, Sebastian Zanker, Peter Deglmann, Michael Marthaler, and Horst Weiß · 2019
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AN initialization strategy for addressing barren plateaus in parametrized quantum circuits
Edward Grant, Mateusz Ostaszewski, Leonard Wossnig, and Marcello Benedetti · 2019
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SciPy 1.0: Fundamental Algorithms for Scientific Computing in Python
Pauli Virtanen, Ralf Gommers, Travis E. Oliphant, Matt Haberland, Tyler Reddy, David Cournapeau, Evgeni Burovski, Pearu Peterson, Warren Weckesser, Jonathan Bright, Stéfan J. van der Walt, Matthew Brett, Joshua Wilson, K. Jarrod Millman, Nikolay Mayorov, Andrew R. J. Nelson, Eric Jones, Robert Kern, Eric Larson, C J Carey, İlhan Polat, Yu Feng, Eric W. Moore, Jake VanderPlas, Denis Laxalde, Josef Perktold, Robert Cimrman, Ian Henriksen, E. A. Quintero, Charles R. Harris, Anne M. Archibald, Antônio H. Ribeiro, Fabian Pedregosa, Paul van Mulbregt, and SciPy 1.0 Contributors · 2020
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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, and Ivano Tavernelli · 2020
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Efficient quantum circuits for quantum computational chemistry
Yordan S. Yordanov, David R.M. Arvidsson-Shukur, and Crispin H.W. Barnes · 2020
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Benchmarking quantum chemistry computations with variational, imaginary time evolution, and krylov space solver algorithms
Kübra Yeter-Aydeniz, Bryan T. Gard, Jacek Jakowski, Swarnadeep Majumder, George S. Barron, George Siopsis, Travis S. Humble, and Raphael C. Pooser · 2021
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Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers
P. Lolur, M. Rahm, M. Skogh, L. García-Álvarez, and G. Wendin · 2021
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Layerwise learning for quantum neural networks
Andrea Skolik, Jarrod R. McClean, Masoud Mohseni, Patrick van der Smagt, and Martin Leib · 2021
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Qubit-excitation-based adaptive variational quantum eigensolver
Yordan S. Yordanov, V. Armaos, Crispin H.W. Barnes, and David R.M. Arvidsson-Shukur · 2021
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Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry
Changsu Cao, Jiaqi Hu, Wengang Zhang, Xusheng Xu, Dechin Chen, Fan Yu, Jun Li, Han-Shi Hu, Dingshun Lv, and Man-Hong Yung · 2022
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