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J. Goings · SciRah

Researcher profile · Semantic Scholar

J. Goings

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J. Goings — researcher profile on SciRah

h-index: 25
Works: 42
Citations: 1,753

Most-cited papers

Real‐time time‐dependent electronic structure theory
J. Goings, Patrick J. Lestrange, Xiaosong Li
2018200 citations
Semantic Scholar
Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers
J. Goings, Alec F. White, Joonho Lee, C. Tautermann +5 more
2022Proceedings of the National Academy of Sciences of the United States of America130 citations Open access
Semantic Scholar
Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy.
B. Peng, Patrick J. Lestrange, J. Goings, M. Caricato +1 more
2015Journal of Chemical Theory and Computation114 citations
Semantic Scholar
The Chronus Quantum software package
David B. Williams-Young, Alessio Petrone, Shichao Sun, Torin F. Stetina +11 more
2019WIREs Computational Molecular Science101 citations Open access
Semantic Scholar
Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations.
Franco Egidi, Shichao Sun, J. Goings, G. Scalmani +2 more
2017Journal of Chemical Theory and Computation97 citations Open access
Semantic Scholar
Real time propagation of the exact two component time-dependent density functional theory.
J. Goings, J. Kasper, Franco Egidi, Shichao Sun +1 more
2016Journal of Chemical Physics92 citations Open access
Semantic Scholar
Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers
Luning Zhao, J. Goings, Kyujin Shin, Woomin Kyoung +7 more
2022npj Quantum Information82 citations Open access
Semantic Scholar
Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures.
Franco Egidi, J. Goings, M. Frisch, Xiaosong Li
2016Journal of Chemical Theory and Computation63 citations Open access
Semantic Scholar
Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.
J. Goings, M. Caricato, M. Frisch, Xiaosong Li
2014Journal of Chemical Physics61 citations Open access
Semantic Scholar
An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra.
J. Goings, Xiaosong Li
2016Journal of Chemical Physics57 citations
Semantic Scholar
Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays.
Emmanuel Odella, S. J. Mora, Brian L. Wadsworth, Mioy T. Huynh +10 more
2018Journal of the American Chemical Society55 citations Open access
Semantic Scholar
Efficient quantum computation of molecular forces and other energy gradients
T. O'Brien, Michael Streif, N. Rubin, R. Santagati +11 more
2021Physical Review Research51 citations Open access
Semantic Scholar
Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state
J. Goings, Peng-Fei Li, Qi-Wen Zhu, S. Hammes-Schiffer
2020Proceedings of the National Academy of Sciences of the United States of America42 citations Open access
Semantic Scholar
Stability of the complex generalized Hartree-Fock equations.
J. Goings, Feizhi Ding, M. Frisch, Xiaosong Li
2015Journal of Chemical Physics42 citations
Semantic Scholar
Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems.
Emmanuel Odella, Brian L. Wadsworth, S. J. Mora, J. Goings +6 more
2019Journal of the American Chemical Society40 citations
Semantic Scholar
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies
Alessio Petrone, J. Goings, Xiaosong Li
201637 citations Open access
Semantic Scholar
Reinforcement Learning Configuration Interaction.
J. Goings, Hang Hu, Chao Yang, Xiaosong Li
2021Journal of Chemical Theory and Computation36 citations Open access
Semantic Scholar
Theoretical Characterization of Conduction-Band Electrons in Photodoped and Aluminum-Doped Zinc Oxide (AZO) Quantum Dots
J. Goings, Alina M. Schimpf, Joseph W. May, Robert W. Johns +2 more
201434 citations
Semantic Scholar
Role of Intact Hydrogen-Bond Networks in Multiproton-Coupled Electron Transfer.
Walter D. Guerra, Emmanuel Odella, Maxim Secor, J. Goings +8 more
2020Journal of the American Chemical Society33 citations Open access
Semantic Scholar
Electron-Coupled Double Proton Transfer in the Slr1694 BLUF Photoreceptor: A Multireference Electronic Structure Study.
Elvira R. Sayfutyarova, J. Goings, S. Hammes-Schiffer
2018Journal of Physical Chemistry B33 citations Open access
Semantic Scholar
Propensity for Proton Relay and Electrostatic Impact of Protein Reorganization in Slr1694 BLUF Photoreceptor.
J. Goings, Clorice R. Reinhardt, S. Hammes-Schiffer
2018Journal of the American Chemical Society33 citations
Semantic Scholar
Current development of noncollinear electronic structure theory
J. Goings, Franco Egidi, Xiaosong Li
201832 citations Open access
Semantic Scholar
Ab initio two-component Ehrenfest dynamics.
Feizhi Ding, J. Goings, Hongbin Liu, D. Lingerfelt +1 more
2015Journal of Chemical Physics31 citations
Semantic Scholar
Early Photocycle of Slr1694 BLUF Photoreceptor Unraveled through Adiabatic Excited State QM/MM Dynamics.
J. Goings, S. Hammes-Schiffer
2019Journal of the American Chemical Society30 citations
Semantic Scholar
Ab initio non-relativistic spin dynamics.
Feizhi Ding, J. Goings, M. Frisch, Xiaosong Li
2014Journal of Chemical Physics30 citations
Semantic Scholar
Imaging Excited Orbitals of Quantum Dots: Experiment and Electronic Structure Theory.
L. Nienhaus, J. Goings, D. Nguyen, Sarah Wieghold +3 more
2015Journal of the American Chemical Society25 citations
Semantic Scholar
Nonequilibrium Dynamics of Proton-Coupled Electron Transfer in Proton Wires: Concerted but Asynchronous Mechanisms
J. Goings, S. Hammes-Schiffer
2020ACS Central Science24 citations Open access
Semantic Scholar
Accelerating Real-Time Time-Dependent Density Functional Theory with a Nonrecursive Chebyshev Expansion of the Quantum Propagator.
David B. Williams-Young, J. Goings, Xiaosong Li
2016Journal of Chemical Theory and Computation23 citations
Semantic Scholar
Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
Emmanuel Odella, S. J. Mora, Brian L. Wadsworth, J. Goings +8 more
2020Chemical Science22 citations Open access
Semantic Scholar
Determination of the SmO+ bond energy by threshold photodissociation of the cryogenically cooled ion.
A. Lachowicz, Evan H Perez, N. Shuman, S. Ard +6 more
2021Journal of Chemical Physics21 citations
Semantic Scholar
Exploring Potential Energy Surfaces Using Reinforcement Machine Learning
Alexis W. Mills, J. Goings, David Beck, Chao Yang +1 more
2022Journal of Chemical Information and Modeling20 citations
Semantic Scholar
Orientation-dependent imaging of electronically excited quantum dots.
D. Nguyen, J. Goings, Huy A Nguyen, J. Lyding +2 more
2018Journal of Chemical Physics15 citations
Semantic Scholar
Approximate singly excited states from a two-component Hartree-Fock reference.
J. Goings, Feizhi Ding, E. Davidson, Xiaosong Li
2015Journal of Chemical Physics13 citations Open access
Semantic Scholar
Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene
J. Goings, Luning Zhao, J. Jakowski, Titus Morris +1 more
2023International Conference on Quantum Computing and Engineering12 citations Open access
Semantic Scholar
Sorption of H2 to open metal sites in a metal-organic framework: a symmetry-adapted perturbation theory analysis.
J. Goings, Suzanna M. Ohlsen, Kara M Blaisdell, Daniel P. Schofield
2014Journal of Physical Chemistry A11 citations
Semantic Scholar
Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?
J. Goings, D. Lingerfelt, Xiaosong Li
2016Journal of Physical Chemistry Letters9 citations
Semantic Scholar
Self-Consistent Field using Direct Inversion in Iterative Subspace Method and Quasi-Newton Vectors
J. Goings, Feizhi Ding, Xiaosong Li
20144 citations
Semantic Scholar
Viewpoints on the 2016 Theory and Applications of Computational Chemistry Conference.
Tiecheng Zhou, J. Goings, Zhou Lin
2016Journal of Physical Chemistry A1 citations
Semantic Scholar
Supplementary Information
P. Kollman, S. Brozell, D. Cerutti, G. Cisneros +12 more
20210 citations
Semantic Scholar
Lawrence Berkeley National Laboratory Recent Work Title The Chronus Quantum software package Permalink
Alessio Petrone, Shichao Sun, Patrick J. Lestrange, Chad E. Hoyer +7 more
20190 citations
Semantic Scholar
Imaging excited states of nanomaterials
D. Nguyen, J. Goings, Huy A Nguyen, J. Lyding +2 more
20190 citations
Semantic Scholar
Breaking Symmetry in Time-Dependent Electronic Structure Theory to Describe Spectroscopic Properties of Non-Collinear and Chiral Molecules
J. Goings
20170 citations
Semantic Scholar

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