| Real‐time time‐dependent electronic structure theory JJ Goings, PJ Lestrange, X Li Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1341, 2018 | 181 | 2018 |
| Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy B Peng, PJ Lestrange, JJ Goings, M Caricato, X Li Journal of chemical theory and computation 11 (9), 4146-4153, 2015 | 127 | 2015 |
| The Chronus quantum software package DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020 | 111 | 2020 |
| Real time propagation of the exact two component time-dependent density functional theory JJ Goings, JM Kasper, F Egidi, S Sun, X Li The Journal of chemical physics 145 (10), 2016 | 97 | 2016 |
| 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 | 96 | 2022 |
| Two-component noncollinear time-dependent spin density functional theory for excited state calculations F Egidi, S Sun, JJ Goings, G Scalmani, MJ Frisch, X Li Journal of Chemical Theory and Computation 13 (6), 2591-2603, 2017 | 96 | 2017 |
| Direct atomic-orbital-based relativistic two-component linear response method for calculating excited-state fine structures F Egidi, JJ Goings, MJ Frisch, X Li Journal of chemical theory and computation 12 (8), 3711-3718, 2016 | 71 | 2016 |
| Controlling proton-coupled electron transfer in bioinspired artificial photosynthetic relays E Odella, SJ Mora, BL Wadsworth, MT Huynh, JJ Goings, PA Liddell, ... Journal of the American Chemical Society 140 (45), 15450-15460, 2018 | 65 | 2018 |
| An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra JJ Goings, X Li The Journal of chemical physics 144 (23), 2016 | 61 | 2016 |
| Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations JJ Goings, M Caricato, MJ Frisch, X Li The Journal of chemical physics 141 (16), 2014 | 59 | 2014 |
| Efficient quantum computation of molecular forces and other energy gradients TE O'Brien, M Streif, NC Rubin, R Santagati, Y Su, WJ Huggins, JJ Goings, ... Physical Review Research 4 (4), 043210, 2022 | 54 | 2022 |
| Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies A Petrone, JJ Goings, X Li Physical Review B 94 (16), 165402, 2016 | 51 | 2016 |
| Stability of the complex generalized Hartree-Fock equations JJ Goings, F Ding, MJ Frisch, X Li The Journal of chemical physics 142 (15), 2015 | 50 | 2015 |
| Early photocycle of Slr1694 blue-light using flavin photoreceptor unraveled through adiabatic excited-state quantum mechanical/molecular mechanical dynamics JJ Goings, S Hammes-Schiffer Journal of the American Chemical Society 141 (51), 20470-20479, 2019 | 47 | 2019 |
| Theoretical characterization of conduction-band electrons in photodoped and aluminum-doped zinc oxide (AZO) quantum dots JJ Goings, AM Schimpf, JW May, RW Johns, DR Gamelin, X Li The Journal of Physical Chemistry C 118 (46), 26584-26590, 2014 | 45 | 2014 |
| Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers L Zhao, J Goings, K Shin, W Kyoung, JI Fuks, JK Kevin Rhee, YM Rhee, ... npj Quantum Information 9 (1), 60, 2023 | 44 | 2023 |
| Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems E Odella, BL Wadsworth, SJ Mora, JJ Goings, MT Huynh, D Gust, ... Journal of the American Chemical Society 141 (36), 14057-14061, 2019 | 44 | 2019 |
| Ab initio two-component Ehrenfest dynamics F Ding, JJ Goings, H Liu, DB Lingerfelt, X Li The Journal of chemical physics 143 (11), 2015 | 43 | 2015 |
| Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state JJ Goings, P Li, Q Zhu, S Hammes-Schiffer Proceedings of the National Academy of Sciences 117 (43), 26626-26632, 2020 | 42 | 2020 |
| Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires E Odella, SJ Mora, BL Wadsworth, JJ Goings, MA Gervaldo, LE Sereno, ... Chemical science 11 (15), 3820-3828, 2020 | 35 | 2020 |
Xiaosong LiLarry R. Dalton Endowed Chair in Chemistry, University of Washington, Seattle, WAAdresse e-mail validée de uw.edu