Fetching the paper…
Reading the bibliography…
The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics.
Nelson H. F. Beebe and Jan Linderberg, “Simplifications in the generation and transformation of two-electron integrals in molecular calculations”, Int. J. Quantum Chem. 12
1977
Earlier work this paper cites.
Björn O. Roos, Peter R. Taylor, and Per E. M. Siegbahn, “A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach”, Chem. Phys. 48
1980
Earlier work this paper cites.
Richard P. Feynman, “Simulating physics with computers”, Int. J. Theor. Phys. 21
1982
Earlier work this paper cites.
Klaus Ruedenberg, Michael W. Schmidt, Mary M. Gilbert, and S. T. Elbert, “Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model”, Chem. Phys. 71
1982
Earlier work this paper cites.
Masuo Suzuki, “Fractal decomposition of exponential operators with applications to many-body theories and Monte Carlo simulations”, Phys. Lett. A 146
1990
Earlier work this paper cites.
Steven R. White, “Density matrix formulation for quantum renormalization groups”, Phys. Rev. Lett. 69
1992
Earlier work this paper cites.
Daniel S. Abrams and Seth Lloyd, “Simulation of Many-Body Fermi Systems on a Universal Quantum Computer”, Phys. Rev. Lett. 79
1997
Earlier work this paper cites.
Michael A. Nielsen and Isaac L. Chuang, Quantum Computation and Quantum Information , 1st ed. (Cambridge University Press, 2004)
2004
Earlier work this paper cites.
Alán Aspuru-Guzik, Anthony D. Dutoi, Peter J. Love, and Martin Head-Gordon, “Simulated Quantum Computation of Molecular Energies”, Science 309
2005
Earlier work this paper cites.
Yan Zhao and Donald G. Truhlar, “A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions”, J. Chem. Phys. 125
2006
Earlier work this paper cites.
Christopher J. Cramer, Essentials of Computational Chemistry: Theories and Models , 2nd ed. (Wiley, Chichester, 2006)
2006
Earlier work this paper cites.
Frank Jensen, Introduction to Computational Chemistry (Wiley, 2007)
2007
Earlier work this paper cites.
Emmanuel Fromager, Julien Toulouse, and Hans Jørgen Aa. Jensen, “On the universality of the long-/short-range separation in multiconfigurational density-functional theory”, J. Chem. Phys. 126
2007
Earlier work this paper cites.
George H. Booth, Alex J. W. Thom, and Ali Alavi, “Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space”, J. Chem. Phys. 131
2009
Earlier work this paper cites.
Libor Veis and Jiří Pittner, “Quantum computing applied to calculations of molecular energies: CH2 benchmark”, J. Chem. Phys. 133
2010
Earlier work this paper cites.
Francesco Aquilante, Linus Boman, Jonas Boström, Henrik Koch, Roland Lindh, Alfredo Sánchez de Merás, and Thomas Bondo Pedersen, “Cholesky Decomposition Techniques in Electronic Structure Theory”, in Linear-Scaling Techniques in Computational Chemistry and Physics: Methods and Applications , Challenges and Advances in Computational Chemistry and Physics, edited by Robert Zalesny, Manthos G. Papadopoulos, Paul G. Mezey, and Jerzy Leszczynski (Springer Netherlands, Dordrecht, 2011) pp. 301–343
2011
Earlier work this paper cites.
Katharina Boguslawski, Konrad H. Marti, and Markus Reiher, “Construction of CASCI-type wave functions for very large active spaces”, J. Chem. Phys. 134
2011
Earlier work this paper cites.
Libor Veis, Jakub Višňák, Timo Fleig, Stefan Knecht, Trond Saue, Lucas Visscher, and Jiří Pittner, “Relativistic quantum chemistry on quantum computers”, Phys. Rev. A 85
2012
Earlier work this paper cites.
Aron J. Cohen, Paula Mori-Sánchez, and Weitao Yang, “Challenges for Density Functional Theory”, Chem. Rev. 112
2012
Earlier work this paper cites.
Andrew M Childs and Nathan Wiebe, “Hamiltonian Simulation Using Linear Combinations of Unitary Operations”, Quantum Inf Comput 12
2012
Earlier work this paper cites.
Austin G. Fowler, Matteo Mariantoni, John M. Martinis, and Andrew N. Cleland, “Surface codes: Towards practical large-scale quantum computation”, Phys. Rev. A 86
2012
Earlier work this paper cites.
Paul Pham and Krysta M. Svore, “A 2D nearest-neighbor quantum architecture for factoring in polylogarithmic depth”, Quantum Info. Comput. 13
2013
Earlier work this paper cites.
Libor Veis and Jiří Pittner, “Quantum Computing Approach to Nonrelativistic and Relativistic Molecular Energy Calculations”, in Quantum Information and Computation for Chemistry (John Wiley & Sons, Ltd, 2014) pp. 107–136
2014
Earlier work this paper cites.
Thomas Weymuth, Erik P. A. Couzijn, Peter Chen, and Markus Reiher, “New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals”, J. Chem. Theory Comput. 10
2014
Earlier work this paper cites.
Alberto Peruzzo, Jarrod McClean, Peter Shadbolt, Man-Hong Yung, Xiao-Qi Zhou, Peter J. Love, Alán Aspuru-Guzik, and Jeremy L. O’Brien, “A variational eigenvalue solver on a photonic quantum processor”, Nat Commun 5
2014
Earlier work this paper cites.
Sebastian Wesselbaum, Verena Moha, Markus Meuresch, Sandra Brosinski, Katharina M. Thenert, Jens Kothe, Thorsten vom Stein, Ulli Englert, Markus Hölscher, Jürgen Klankermayer, and Walter Leitner, “Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium–Triphos catalyst: From mechanistic investigations to multiphase catalysis”, Chem. Sci. 6
2015
Cited alongside, same era.
Sebastian Keller, Katharina Boguslawski, Tomasz Janowski, Markus Reiher, and Peter Pulay, “Selection of active spaces for multiconfigurational wavefunctions”, J. Chem. Phys. 142
2015
Cited alongside, same era.
Erik Donovan Hedegård, Stefan Knecht, Jesper Skau Kielberg, Hans Jørgen Aagaard Jensen, and Markus Reiher, “Density matrix renormalization group with efficient dynamical electron correlation through range separation”, J. Chem. Phys. 142
2015
Cited alongside, same era.
Markus Reiher and Alexander Wolf, Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science , 2nd ed. (Wiley-VCH, Weinheim, 2015)
Erik Donovan Hedegård, Julien Toulouse, and Hans Jørgen Aagaard Jensen, “Multiconfigurational short-range density-functional theory for open-shell systems”, J. Chem. Phys. 148
2018
Later among the works it cites.
Hongjun Luo and Ali Alavi, “Combining the Transcorrelated Method with Full Configuration Interaction Quantum Monte Carlo: Application to the Homogeneous Electron Gas”, J. Chem. Theory Comput. 14
2018
Later among the works it cites.
John Preskill, “Quantum Computing in the NISQ era and beyond”, Quantum 2
2018
Later among the works it cites.
David Poulin, Alexei Kitaev, Damian S. Steiger, Matthew B. Hastings, and Matthias Troyer, “Quantum algorithm for spectral measurement with a lower gate count”, Phys. Rev. Lett. 121
2018
Later among the works it cites.
Dominic W. Berry, Mária Kieferová, Artur Scherer, Yuval R. Sanders, Guang Hao Low, Nathan Wiebe, Craig Gidney, and Ryan Babbush, “Improved techniques for preparing eigenstates of fermionic Hamiltonians”, npj Quantum Inf 4
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
2015
Cited alongside, same era.
David Poulin, Matthew B. Hastings, Dave Wecker, Nathan Wiebe, Andrew C. Doberty, and Matthias Troyer, “The trotter step size required for accurate quantum simulation of quantum chemistry”, Quantum Info. Comput. 15
2015
Cited alongside, same era.
Dominic W. Berry, Andrew M. Childs, Richard Cleve, Robin Kothari, and Rolando D. Somma, “Simulating Hamiltonian dynamics with a truncated Taylor series”, Phys. Rev. Lett. 114
2015
Cited alongside, same era.
Krysta M. Svore and Matthias Troyer, “The quantum future of computation”, IEEE Computer 49
2016
Cited alongside, same era.
Gregor N. Simm and Markus Reiher, “Systematic Error Estimation for Chemical Reaction Energies”, J. Chem. Theory Comput. 12
2016
Cited alongside, same era.
Christopher J. Stein and Markus Reiher, “Automated Selection of Active Orbital Spaces”, J. Chem. Theory Comput. 12
2016
Cited alongside, same era.
Christopher J. Stein, Vera von Burg, and Markus Reiher, “The Delicate Balance of Static and Dynamic Electron Correlation”, J. Chem. Theory Comput. 12
2016
Cited alongside, same era.
Nathan Wiebe and Chris Granade, “Efficient bayesian phase estimation”, Phys. Rev. Lett. 117
2016
Cited alongside, same era.
Dmitri Maslov, “Optimal and asymptotically optimal NCT reversible circuits by the gate types”, Quantum Information and Computation 16
2016
Cited alongside, same era.
2018
Later among the works it cites.
2018
Later among the works it cites.
2018
Later among the works it cites.
Yudong Cao, Jonathan Romero, Jonathan P. Olson, Matthias Degroote, Peter D. Johnson, Mária Kieferová, Ian D. Kivlichan, Tim Menke, Borja Peropadre, Nicolas P. D. Sawaya, Sukin Sim, Libor Veis, and Alán Aspuru-Guzik, “Quantum Chemistry in the Age of Quantum Computing”, Chem. Rev. 119
2019
Later among the works it cites.
Guang Hao Low and Isaac L. Chuang, “Hamiltonian simulation by qubitization”, Quantum 3
2019
Later among the works it cites.
2019
Later among the works it cites.
Cameron Hepburn, Ella Adlen, John Beddington, Emily A. Carter, Sabine Fuss, Niall Mac Dowell, Jan C. Minx, Pete Smith, and Charlotte K. Williams, “The technological and economic prospects for CO 2 utilization and removal”, Nature 575
2019
Later among the works it cites.
Yueshen Wu, Zhan Jiang, Xu Lu, Yongye Liang, and Hailiang Wang, “Domino electroreduction of CO 2 to methanol on a molecular catalyst”, Nature 575
2019
Later among the works it cites.
Gregor N. Simm, Alain C. Vaucher, and Markus Reiher, “Exploration of Reaction Pathways and Chemical Transformation Networks”, J. Phys. Chem. A 123
2019
Later among the works it cites.
Christopher J. Stein and Markus Reiher, “autoCAS: A Program for Fully Automated Multiconfigurational Calculations”, J. Comput. Chem. 40
2019
Later among the works it cites.
Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, and Nicholas J. Mayhall, “An adaptive variational algorithm for exact molecular simulations on a quantum computer”, Nat Commun 10
2019
Later among the works it cites.
Michael Kühn, Sebastian Zanker, Peter Deglmann, Michael Marthaler, and Horst Weiß, “Accuracy and Resource Estimations for Quantum Chemistry on a Near-Term Quantum Computer”, J. Chem. Theory Comput. 15
2019
Later among the works it cites.
Guang Hao Low, “Hamiltonian simulation with nearly optimal dependence on spectral norm”, in Proceedings of the 51st Annual ACM Symposium on Theory of Computing - STOC ’19 (ACM Press, New York, New York, USA, 2019) pp. 491–502
2019
Later among the works it cites.
Craig Gidney and Austin G. Fowler, “Efficient magic state factories with a catalyzed | C C Z ⟩ |CCZ\rangle to 2 | T ⟩ 2|T\rangle transformation”, Quantum 3
2019
Later among the works it cites.
Mario Motta, James Shee, Shiwei Zhang, and Garnet Kin-Lic Chan, “Efficient ab initio auxiliary-field quantum monte carlo calculations in gaussian bases via low-rank tensor decomposition”, J. Chem. Theory Comput. 15
2019
Later among the works it cites.
Sam McArdle, Suguru Endo, Alán Aspuru-Guzik, Simon C. Benjamin, and Xiao Yuan, “Quantum computational chemistry”, Rev. Mod. Phys. 92
2020
Closest in time.
Alberto Baiardi and Markus Reiher, “The Density Matrix Renormalization Group in Chemistry and Molecular Physics: Recent Developments and New Challenges”, J. Chem. Phys. 152
2020
Closest in time.
2020
Closest in time.
Fengwang Li, Arnaud Thevenon, Alonso Rosas-Hernández, Ziyun Wang, Yilin Li, Christine M. Gabardo, Adnan Ozden, Cao Thang Dinh, Jun Li, Yuhang Wang, Jonathan P. Edwards, Yi Xu, Christopher McCallum, Lizhi Tao, Zhi-Qin Liang, Mingchuan Luo, Xue Wang, Huihui Li, Colin P. O’Brien, Chih-Shan Tan, Dae-Hyun Nam, Rafael Quintero-Bermudez, Tao-Tao Zhuang, Yuguang C. Li, Zhiji Han, R. David Britt, David Sinton, Theodor Agapie, Jonas C. Peters, and Edward H. Sargent, “Molecular tuning of CO 2 -to-ethylene conversion”, Nature 577
2020
Closest in time.
Leticia González and Roland Lindh, Quantum Chemistry and Dynamics of Excited States: Methods and Applications. (John Wiley, 2020)
2020
Closest in time.
Wojciech Górecki, Rafał Demkowicz-Dobrzański, Howard M. Wiseman, and Dominic W. Berry, “ π \pi -corrected heisenberg limit”, Phys. Rev. Lett. 124
2020
Closest in time.