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The ability to perform classically intractable electronic structure calculations is often cited as one of the principal applications of quantum computing.
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Kassal, I.; Aspuru-Guzik, A. Quantum Algorithm for Molecular Properties and Geometry Optimization
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Lanyon, B. P.; Whitfield, J. D.; Gillett, G. G.; Goggin, M. E.; Almeida, M. P.; Kassal, I.; Biamonte, J. D.; Mohseni, M.; Powell, B. J.; Barbieri, M.; Aspuru-Guzik, A.; White, A. G. Towards Quantum Chemistry on a Quantum Computer
2010
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Du, J.; Xu, N.; Peng, X.; Wang, P.; Wu, S.; Lu, D. NMR Implementation of a Molecular Hydrogen Quantum Simulation with Adiabatic State Preparation
2010
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Nielsen, M. A.; Chuang, I. L
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Whitfield, J. D.; Biamonte, J.; Aspuru-Guzik, A. Simulation of Electronic Structure Hamiltonians Using Quantum Computers
2011
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Seeley, J. T.; Richard, M. J.; Love, P. J. The Bravyi-Kitaev Transformation for Quantum Computation of Electronic Structure
2012
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Smelyanskiy, M.; Sawaya, N. P. D.; Aspuru-Guzik, A. qHiPSTER: The Quantum High Performance Software Testing Environment
2016
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Reiher, M.; Wiebe, N.; Svore, K. M.; Wecker, D.; Troyer, M. Elucidating Reaction Mechanisms on Quantum Computers
2017
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Olson, J.; Cao, Y.; Romero, J.; Johnson, P.; Dallaire-Demers, P.-L.; Sawaya, N.; Narang, P.; Kivlichan, I.; Wasielewski, M.; Aspuru-Guzik, A. Quantum Information and Computation for Chemistry
2017
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Kandala, A.; Mezzacapo, A.; Temme, K.; Takita, M.; Brink, M.; Chow, J. M.; Gambetta, J. M. Hardware-Efficient Variational Quantum Eigensolver for Small Molecules and Quantum Magnets
2017
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Mohseni, M.; Read, P.; Neven, H.; Boixo, S.; Denchev, V.; Babbush, R.; Fowler, A.; Smelyanskiy, V.; Martinis, J. Commercialize Quantum Technologies in Five Years
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McClean, J. R.; Babbush, R.; Love, P. J.; Aspuru-Guzik, A. Exploiting Locality in Quantum Computation for Quantum Chemistry
2014
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Peruzzo, A.; McClean, J.; Shadbolt, P.; Yung, M.-H.; Zhou, X.-Q.; Love, P. J.; Aspuru-Guzik, A.; O’Brien, J. L. A Variational Eigenvalue Solver on a Photonic Quantum Processor
2014
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Tranter, A.; Sofia, S.; Seeley, J.; Kaicher, M.; McClean, J.; Babbush, R.; Coveney, P. V.; Mintert, F.; Wilhelm, F.; Love, P. J. The Bravyi-Kitaev Transformation: Properties and Applications
2015
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Poulin, D.; Hastings, M. B.; Wecker, D.; Wiebe, N.; Doberty, A. C.; Troyer, M. The Trotter Step Size Required for Accurate Quantum Simulation of Quantum Chemistry
2015
Cited alongside, same era.
Babbush, R.; McClean, J.; Wecker, D.; Aspuru-Guzik, A.; Wiebe, N. Chemical Basis of Trotter-Suzuki Errors in Quantum Chemistry Simulation
2015
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Hastings, M. B.; Wecker, D.; Bauer, B.; Troyer, M. Improving Quantum Algorithms for Quantum Chemistry
2015
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O’Malley, P. J. J.; Babbush, R.; Kivlichan, I. D.; Romero, J.; McClean, J. R.; Barends, R.; Kelly, J.; Roushan, P.; Tranter, A.; Ding, N.; Campbell, B.; Chen, Y.; Chen, Z.; Chiaro, B.; Dunsworth, A.; Fowler, A. G.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Neill, C.; Quintana, C.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Coveney, P. V.; Love, P. J.; Neven, H.; Aspuru-Guzik, A.; Martinis, J. M. Scalable Quantum Simulation of Molecular Energies
2016
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2017
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Havlíček, V.; Troyer, M.; Whitfield, J. D. Operator Locality in Quantum Simulation of Fermionic Models
2017
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Setia, K.; Whitfield, J. D. Bravyi-Kitaev Superfast Simulation of Fermions on a Quantum Computer
2017
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This requirement can be relaxed by additional encoding techniques,
2017
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Parrish, R. M.; Burns, L. A.; Smith, D. G. A.; Simmonett, A. C.; DePrince, A. E.; Hohenstein, E. G.; Bozkaya, U.; Sokolov, A. Y.; Di Remigio, R.; Richard, R. M.; Gonthier, J. F.; James, A. M.; McAlexander, H. R.; Kumar, A.; Saitow, M.; Wang, X.; Pritchard, B. P.; Verma, P.; Schaefer, H. F.; Patkowski, K.; King, R. A.; Valeev, E. F.; Evangelista, F. A.; Turney, J. M.; Crawford, T. D.; Sherrill, C. D. Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
2017
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McClean, J. R.; Kivlichan, I. D.; Steiger, D. S.; Sung, K. J.; Cao, Y.; Dai, C.; Fried, E. S.; Gidney, C.; Häner, T.; Havlíček, V.; Huang, C.; Jiang, Z.; Neeley, M.; Romero, J.; Rubin, N.; Sawaya, N. P. D.; Setia, K.; Sim, S.; Sun, W.; Zhang, F.; Babbush, R. OpenFermion: The Electronic Structure Package for Quantum Computers
2017
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Häner, T.; Steiger, D. S. 0.5 Petabyte Simulation of a 45-Qubit Quantum Circuit. Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis. New York, NY, USA, 2017; pp 33:1–33:10
2017
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Pednault, E.; Gunnels, J. A.; Nannicini, G.; Horesh, L.; Magerlein, T.; Solomonik, E.; Wisnieff, R. Breaking the 49-Qubit Barrier in the Simulation of Quantum Circuits
2017
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Bravyi, S.; Gambetta, J. M.; Mezzacapo, A.; Temme, K. Tapering off Qubits to Simulate Fermionic Hamiltonians
2017
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Steudtner, M.; Wehner, S. Lowering Qubit Requirements for Quantum Simulations of Fermionic Systems
2017
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Jones, E.; Oliphant, T.; Peterson, P.; others, SciPy: Open Source Scientific Tools for Python
2018
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