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Joonho Lee
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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
6892021
Generalized unitary coupled cluster wave functions for quantum computation
J Lee, WJ Huggins, M Head-Gordon, KB Whaley
Journal of chemical theory and computation 15 (1), 311-324, 2018
4022018
Suppressing quantum errors by scaling a surface code logical qubit
Nature 614 (7949), 676-681, 2023
3752023
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
NM Tubman, J Lee, TY Takeshita, M Head-Gordon, KB Whaley
The Journal of chemical physics 145 (4), 2016
3082016
Time-crystalline eigenstate order on a quantum processor
X Mi, M Ippoliti, C Quintana, A Greene, Z Chen, J Gross, F Arute, K Arya, ...
Nature 601 (7894), 531-536, 2022
2592022
Even more efficient quantum computations of chemistry through tensor hypercontraction
J Lee, DW Berry, C Gidney, WJ Huggins, JR McClean, N Wiebe, ...
PRX Quantum 2 (3), 030305, 2021
2302021
Virtual distillation for quantum error mitigation
WJ Huggins, S McArdle, TE O’Brien, J Lee, NC Rubin, S Boixo, ...
Physical Review X 11 (4), 041036, 2021
2092021
A non-orthogonal variational quantum eigensolver
WJ Huggins, J Lee, U Baek, B O’Gorman, KB Whaley
New Journal of Physics 22 (7), 073009, 2020
1522020
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry
S Lee, J Lee, H Zhai, Y Tong, AM Dalzell, A Kumar, P Helms, J Gray, ...
Nature communications 14 (1), 1952, 2023
1512023
Unbiasing fermionic quantum Monte Carlo with a quantum computer
WJ Huggins, BA O’Gorman, NC Rubin, DR Reichman, R Babbush, J Lee
Nature 603 (7901), 416-420, 2022
1512022
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ...
The Journal of chemical physics 152 (17), 2020
1152020
Embedded mean-field theory
ME Fornace, J Lee, K Miyamoto, FR Manby, TF Miller
Journal of Chemical Theory and Computation, 2015
1082015
Regularized orbital-optimized second-order Møller–Plesset perturbation theory: A reliable fifth-order-scaling electron correlation model with orbital energy dependent regularizers
J Lee, M Head-Gordon
Journal of chemical theory and computation 14 (10), 5203-5219, 2018
1072018
Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers
JJ Goings, A White, J Lee, CS Tautermann, M Degroote, C Gidney, ...
Proceedings of the National Academy of Sciences 119 (38), e2203533119, 2022
642022
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states
J Lee, DW Small, M Head-Gordon
The Journal of chemical physics 151 (21), 2019
642019
Systematically improvable tensor hypercontraction: Interpolative separable density-fitting for molecules applied to exact exchange, second-and third-order Møller–Plesset …
J Lee, L Lin, M Head-Gordon
Journal of chemical theory and computation 16 (1), 243-263, 2019
632019
Coupled-cluster valence-bond singles and doubles for strongly correlated systems: Block-tensor based implementation and application to oligoacenes
J Lee, DW Small, E Epifanovsky, M Head-Gordon
Journal of chemical theory and computation 13 (2), 602-615, 2017
612017
Distinguishing artificial and essential symmetry breaking in a single determinant: Approach and application to the C 60, C 36, and C 20 fullerenes
J Lee, M Head-Gordon
Physical Chemistry Chemical Physics 21 (9), 4763-4778, 2019
602019
Phase transition in random circuit sampling
A Morvan, B Villalonga, X Mi, S Mandra, A Bengtsson, PV Klimov, Z Chen, ...
arXiv preprint arXiv:2304.11119, 2023
582023
Noise-resilient edge modes on a chain of superconducting qubits
X Mi, M Sonner, MY Niu, KW Lee, B Foxen, R Acharya, I Aleiner, ...
Science 378 (6621), 785-790, 2022
562022
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