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We propose a quantum algorithm to simulate the dynamics in quantum chemistry problems.
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R. P. Feynman, Simulating physics with computers, in Feynman and computation (CRC Press, 2018) pp. 133–153
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R. Babbush, N. Wiebe, J. McClean, J. McClain, H. Neven, and G. K.-L. Chan, Low-depth quantum simulation of materials, Phys. Rev. X 8
2018
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K. Dong, W. Hu, and L. Lin, Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation with Applications to Hybrid Functional Electronic Structure Calculations, Journal of Chemical Theory and Computation 14
2018
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I. D. Kivlichan, J. McClean, N. Wiebe, C. Gidney, A. Aspuru-Guzik, G. K.-L. Chan, and R. Babbush, Quantum simulation of electronic structure with linear depth and connectivity, Phys. Rev. Lett. 120
2018
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Z. Jiang, K. J. Sung, K. Kechedzhi, V. N. Smelyanskiy, and S. Boixo, Quantum algorithms to simulate many-body physics of correlated fermions, Phys. Rev. Appl. 9
2018
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2021
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V. von Burg, G. H. Low, T. Häner, D. S. Steiger, M. Reiher, M. Roetteler, and M. Troyer, Quantum computing enhanced computational catalysis, Phys. Rev. Res. 3
2021
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J. Lee, D. W. Berry, C. Gidney, W. J. Huggins, J. R. McClean, N. Wiebe, and R. Babbush, Even more efficient quantum computations of chemistry through tensor hypercontraction, PRX Quantum 2
2021
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A. M. Childs, Y. Su, M. C. Tran, N. Wiebe, and S. Zhu, Theory of trotter error with commutator scaling, Phys. Rev. X 11
2021
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Y. Su, D. W. Berry, N. Wiebe, N. Rubin, and R. Babbush, Fault-tolerant quantum simulations of chemistry in first quantization, PRX Quantum 2
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Q. Sun, T. C. Berkelbach, N. S. Blunt, G. H. Booth, S. Guo, Z. Li, J. Liu, J. D. McClain, E. R. Sayfutyarova, S. Sharma, et al. , Pyscf: the python-based simulations of chemistry framework, Wiley Interdisciplinary Reviews: Computational Molecular Science 8
2018
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G. H. Low and I. L. Chuang, Hamiltonian simulation by qubitization, Quantum 3
2019
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D. W. Berry, C. Gidney, M. Motta, J. R. McClean, and R. Babbush, Qubitization of arbitrary basis quantum chemistry leveraging sparsity and low rank factorization, Quantum 3
2019
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J. Argüello-Luengo, A. González-Tudela, T. Shi, P. Zoller, and J. I. Cirac, Analogue quantum chemistry simulation, Nature 574
2019
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R. Babbush, D. W. Berry, J. R. McClean, and H. Neven, Quantum simulation of chemistry with sublinear scaling in basis size, npj Quantum Information 5
2019
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Z. Li, J. Li, N. S. Dattani, C. Umrigar, and G. K. Chan, The electronic complexity of the ground-state of the femo cofactor of nitrogenase as relevant to quantum simulations, The Journal of chemical physics 150
2019
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S. McArdle, S. Endo, A. Aspuru-Guzik, S. C. Benjamin, and X. Yuan, Quantum computational chemistry, Rev. Mod. Phys. 92
2020
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J. Lee, L. Lin, and M. Head-Gordon, Systematically improvable tensor hypercontraction: Interpolative separable density-fitting for molecules applied to exact exchange, second- and third-order møller–plesset perturbation theory, Journal of Chemical Theory and Computation 16
2020
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2021
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M. Motta and J. E. Rice, Emerging quantum computing algorithms for quantum chemistry, Wiley Interdisciplinary Reviews: Computational Molecular Science 12
2022
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R. D. Johnson, Nist computational chemistry comparison and benchmark database (2022)
2022
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A. Hahn, D. Burgarth, and K. Yuasa, Unification of random dynamical decoupling and the quantum zeno effect, New Journal of Physics 24
2022
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J. M. Arrazola, O. Di Matteo, N. Quesada, S. Jahangiri, A. Delgado, and N. Killoran, Universal quantum circuits for quantum chemistry, Quantum 6
2022
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2023
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D. Herman, R. Shaydulin, Y. Sun, S. Chakrabarti, S. Hu, P. Minssen, A. Rattew, R. Yalovetzky, and M. Pistoia, Constrained optimization via quantum Zeno dynamics, Communications Physics 6
2023
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H. Zhai, H. R. Larsson, S. Lee, Z.-H. Cui, T. Zhu, C. Sun, L. Peng, R. Peng, K. Liao, J. Tölle, et al. , Block2: A comprehensive open source framework to develop and apply state-of-the-art dmrg algorithms in electronic structure and beyond, The Journal of Chemical Physics 159
2023
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L. Piroli, G. Styliaris, and J. I. Cirac, Approximating many-body quantum states with quantum circuits and measurements, Phys. Rev. Lett. 133
2024
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M. Luo and J. I. Cirac, Efficient simulation of quantum chemistry problems in an enlarged basis set , Zenodo (2024)
2024
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