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Joshua J Goings
Joshua J Goings
IonQ
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Название
Процитировано
Процитировано
Год
Real‐time time‐dependent electronic structure theory
JJ Goings, PJ Lestrange, X Li
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1341, 2018
1802018
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
1272015
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
1112020
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
972016
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
962017
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
952022
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
712016
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
652018
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
612016
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
592014
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
522022
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies
A Petrone, JJ Goings, X Li
Physical Review B 94 (16), 165402, 2016
512016
Stability of the complex generalized Hartree-Fock equations
JJ Goings, F Ding, MJ Frisch, X Li
The Journal of chemical physics 142 (15), 2015
492015
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
472019
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
452014
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
442023
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
442019
Ab initio two-component Ehrenfest dynamics
F Ding, JJ Goings, H Liu, DB Lingerfelt, X Li
The Journal of chemical physics 143 (11), 2015
432015
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
422020
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
352020
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