My up-to-date publication list can be found in Google Scholar.
(* indicates equal contribution)
Compressing many-body fermion operators under unitary constraints
N. C. Rubin, J. Lee, R. Babbush
Observation of Time-Crystalline Eigenstate Order on a Quantum Processor
Google Quantum AI
Unbiasing Fermionic Quantum Monte Carlo with a Quantum Computer
W. J. Huggins*, B. A. O'Gorman, N. C. Rubin, D. R. Reichman, R. Babbush, J. Lee* (accepted in Nature)
J. Lee, X. Feng, L. A. Cunha, J. F. Gonthier, E. Epifanovsky, and M. Head-Gordon.
J. Chem. Theory. Comput. 2021, 17, 3372.
J. Lee, F. D. Malone, M. A. Morales, D. R. Reichman.
J. Chem. Theory. Comput. 2021, 17, 3372.
J. Lee, M. A. Morales, and F. D. Malone.
J. Chem. Phys. 2021, 154, 064109.
S. P. Veccham, J. Lee, and M. Head-Gordon.
J.Chem. Phys. 2019, 151, 194101.
An auxiliary-field quantum Monte Carlo perspective on the ground state of the dense uniform electron gas: An investigation with Hartree-Fock trial wavefunctions
J. Lee, F. D. Malone, and M. A. Morales.
J. Chem. Phys. 2019, 151, 064122.
Compressing many-body fermion operators under unitary constraints
N. C. Rubin, J. Lee, R. Babbush
Unbiasing Fermionic Quantum Monte Carlo with a Quantum Computer
W. J. Huggins*, B. A. O'Gorman, N. C. Rubin, D. R. Reichman, R. Babbush, J. Lee* (accepted in Nature)
What the foundations of quantum computer science teach us about chemistry
J. R. McClean, N. C. Rubin, J. Lee, M. P. Harrigan, T. E. O'Brien, R. Babbush, W. J. Huggins, H.-Y. Huang
J. Chem. Phys. 2021, 155, 150901.
Virtual Distillation for Quantum Error Mitigation
W. J. Huggins, S. McArdle, T. E. O’Brien, J. Lee, N. C. Rubin, S. Boixo, K. B. Whaley, R. Babbush, J. R. McClean.
Accepted in Phys. Rev. X.
J. Lee*, D. W. Berry*, C. Gidney, W. J. Huggins, J. R. McClean, N. Wiebe, R. Babbush.
PRX Quantum. 2021, 2, 030305.
W. J. Huggins, J. Lee, U. Baek, B. O'Gorman, and K. B. Whaley.
New J. Phys. 2020, 22, 073009.
J. Lee*, W. J. Huggins*, M. Head-Gordon, and K. B. Whaley.
J. Chem.Theory Comput. 2018, 15, 311-324.
J. Lee, S. Zhang, and D. R. Reichman.
Phys. Rev. B. 2021, 103, 115123.
T. Stauch, B. Ganoe, J. Wong, J. Lee, A. Rettig, J. Liang, J. Li, E. Epifanovsky, T. Head-Gordon, M. Head-Gordon
Mol. Phys. 2021 e1990426.
M. Loipersberger, L. W. Bertels, J. Lee, M. Head-Gordon
J. Chem. Theory Comput. 2021, 17, 5582.
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson–Fischer point in bond dissociation?
L. A. Cunha, J. Lee, D. Hait, C. W. McCurdy, M. Head-Gordon.
J. Chem. Phys. 2021, 155, 014309.
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition
J. Shee, M. Loipersberger, D. Hait, J. Lee, M. Head-Gordon.
J. Chem. Phys. 2021, 154, 194109.
Polishing the Gold Standard: The Role of Orbital Choice in CCSD (T) Vibrational Frequency Prediction
L. W. Bertels, J. Lee, and M. Head-Gordon.
J. Chem. Theory Comput. 2021, 17, 742.
S. P. Veccham, J. Lee, Y. Mao, P. R. Horn, and M. Head-Gordon.
Physical Chemistry Chemical Physics, 2021, 23, 928-943.
J. Lee and D. R. Reichman.
J. Chem.Phys. 2020, 153, 044131. (Editor's Pick)
J. Lee, F. D. Malone, and D. R. Reichman.
J. Chem. Phys. 2020, 153, 126101.
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex
J. Lee, F. D. Malone, and M. A. Morales.
J. Chem. Theory Comput. 2020, 16, 3019-3027.
J. Lee, L. Lin, and M. Head-Gordon.
J. Chem. Theory Comput. 2019, 16, 243-263.
J. Lee, D. W. Small, and M. Head-Gordon.
J. Chem. Phys. 151 2019, 214103.
Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2 and Pyridine and Imidazole
M. Loipersberger, J. Lee, Y. Mao, A. K. Das, K. Ikeda, J. Thirman, T. Head-Gordon, and M. Head-Gordon.
J. Phys. Chem. A, 2019, 123, 9621-9633.
J. Lee, L. W. Bertels, D. W. Small, and M. Head-Gordon
Phys. Rev. Lett. 2019, 123, 113001. (arXiv:1904.08093)
L. W. Bertels, J. Lee, and M. Head-Gordon.
J.Phys. Chem. Lett. 2019, 10, 4170-4176.
J. Lee and M. Head-Gordon.
J. Chem. Phys. 2019, 150, 244106.
Distinguishing artificial and essential symmetry breaking in a single determinant: approach and application to the C60, C36, and C20 fullerenes
J. Lee and M. Head-Gordon.
Phys. Chem. Chem. Phys. 2019, 21, 4763-4778. (2019 PCCP HOT Articles)
J. Lee, D. W. Small, and M. Head-Gordon.
J. Chem. Phys. 2018, 149, 244121.
J. Lee and M. Head-Gordon.
J. Chem. Theory Comput. 2018, 14, 5203-5219.
J. Lee, D. W. Small, E. Epifanovsky, and M. Head-Gordon.
J. Chem. Theory Comput. 2017, 13, 602-615.
N. M. Tubman, J. Lee, T. Y. Takeshita, M. Head-Gordon, and K. B. Whaley.
J. Chem. Phys. 2016, 145, 044112.
M. E. Fornace*, J. Lee*, K. Miyamoto*, F. R. Manby, and T. F. Miller.
J. Chem. Theory Comput. 2015, 11, 568-580.
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E. Epifanovsky, A. T. B. Gilbert, X. Feng, J. Lee, et al.
J. Chem. Phys. 2021, 155, 084801.
P. R. C. Kent, A. Annaberdiyev, A. Benali, M. C. Bennett, E. J. L. Borda, P. Doak, H. Hao, K. D. Jordan, J. T. Krogel, I.Kylänpää, J. Lee, Y. Luo, F. D. Malone, C. A. Melton, L. Mitas, M. A. Morales, E. Neuscamman, F. A. Reboredo, B.Rubenstein, K. Saritas, S. Upadhyay, G. Wang, S. Zhang, L. Zhao
J. Chem. Phys. 2020, 152, 174105. (Editor's Pick)
J. Lee, D. Lee, A. Kocherzhenko, L. Greenman, D. T. Finley, M. B. Francis, and K. B. Whaley.
J. Phys. Chem. B, 2018, 122, 12292-12301. (Supplementary Cover Article)
M. Ha, D. Y. Kim, N. Li, J. M. L. Madridejos, I. K. Park, I. S. Youn, J. Lee, C. Baig, M. Filatov, S. K. Min, and et al.
J. Phys. Chem. C, 2017, 121, 14968-14974.
Halogen-π Interactions between Benzene and X2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T)
I. S. Youn, D. Y. Kim, W. J. Cho, J. M. L. Madridejos, H. M. Lee, M. Ko laski, J. Lee, C. Baig, S. K. Shin, M. Filatov, and et al.
J. Phys. Chem. A, 2016, 120, 9305-9314.
W. J. Cho, J. Kim, J. Lee, T. Keyes, J. E. Straub, and K. S. Kim.
Phys. Rev. Lett. 2014,112, 157802.
J. Y. Ko, S. W. Heo, J. H. Lee, H. B. Oh, H. Kim, and H. I. Kim.
J. Phys. Chem. A, 2011, 115, 14215-14220.