People

Joshua
Goings
Alumni, Postdoctoral Researcher, Research Scientist
Currently: Research Associate, Sharon Hammes-Schiffer, Yale University

[email protected]


Education


Awards

  • 2016
    Chemical Computing Group Research Excellence Award American Chemical Society
  • 2015
    Graduate Student Merit Fellowship University of Washington
  • 2014
    Peter Salamon Scholarship Telluride Science Research Center
  • 2014
    Graduate Research Fellowship National Science Foundation
  • 2012
    Natt-Lingafelter Graduate Fellowship University of Washington
  • 2012
    David T. and Christina L. Wong Scholarship in Chemistry Seattle Pacific University


Publications

  1. Exploring Potential Energy Surfaces Using Reinforcement Machine Learning
    Alexis W. Mills, Joshua J. Goings, David Beck, Chao Yang, and Xiaosong Li
    Journal of Chemical Information and Modeling2022, 62, 3169-3179
  2. Determination of the SmO+ Bond Energy by Threshold Photodissociation of the Cryogenically Cooled Ion
    Anton Lachowicz, Evan H. Perez, Nicholas S. Shuman, Shaun G. Ard, Albert A. Viggiano, Peter B. Armentrout, Joshua J.Goings, Prachi Sharma, Xiaosong Li, Mark A Johnson
    Journal of Chemical Physics2021, 155, 174303
  3. Reinforcement Learning Configuration Interaction
    Joshua J. Goings, Hang Hu, Chao Yang, and Xiaosong Li
    Journal of Chemical Theory and Computation2021, 17, 5482-5491
  4. The Chronus Quantum (ChronusQ) Software Package
    Williams-Young, David B and Petrone, Alessio and Sun, Shichao and Stetina, Torin F and Lestrange, Patrick and Hoyer, Chad E and Nascimento, Daniel R and Koulias, Lauren and Wildman, Andrew and Kasper, Joseph and Goings, Joshua J. and Ding, Feizhi and DePrince III, A. Eugene and Valeev, Edward F. and Li, Xiaosong
    WIREs Comput. Mol. Sci2020, 10, e1436
  5. Orientation-Dependent Imaging of Electronically Excited Quantum Dots
    D. Nguyen, J. J. Goings, H. Nguyen, J. Lyding, X. Li, M. Gruebele
    J. Chem. Phys.2018, 148, 64701
  6. Real-Time Time-dependent Electronic Structure Theory
    J. J. Goings, P. J. Lestrange, X. Li
    WIREs Comput. Mol. Sci.2018, e1341
  7. Current Development of Non-collinear Electronic Structure Theory
    J. J. Goings, F. Egidi, X. Li
    Int. J. Quantum Chem.2018, e25398
  8. Two-Component Non-Collinear Time-Dependent Spin Density Functional Theory for Excited State Calculations
    F. Egidi, S. Sun, J. J. Goings, G. Scalmani, M. J. Frisch, X. Li
    J. Chem. Theory Comput.2017, 13, 2591–2603
  9. Accelerating Real-Time Time-Dependent Density Functional Theory with a Non-Recursive Chebyshev Expansion of the Quantum Propagator
    D. Williams-Young, J. J. Goings, X. Li
    J. Chem. Theory Comput.2016, 12, 5333
  10. An Atomic Orbital Based Real-Time Time-Dependent Density Functional Theory for Computing Electronic Circular Dichroism Band Spectra
    J. J. Goings, X. Li
    J. Chem. Phys.2016, 144, 234102
  11. Direct Atomic-Orbital Based Relativistic Two-Component Linear Response Method for Calculating Excited State Fine Structures
    F. Egidi, J. J. Goings, M. Frisch, X. Li
    J. Chem. Theory Comput.2016, 12, 3711
  12. Real Time Propagation of the Exact Two Component Time-Dependent Density Functional Theory
    J. J. Goings, J. Kasper, F. Egidi, S. Sun, X. Li
    J. Chem. Phys.2016, 145, 104107
  13. Quantum Confinement Effects on Optical Transitions in Nanodiamonds Containing Nitrogen Vacancies
    A. Petrone, J. J. Goings, X. Li
    Phys. Rev. B2016, 94, 165402
  14. Can Quantized Vibrational Effects be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?
    J. J. Goings, D. B. Lingerfelt, X. Li
    J. Phys. Chem. Lett.2016, 7, 5193–5197
  15. Imaging Excited Orbitals of Quantum Dots: Experiment and Electronic Structure Theory
    L. Nienhaus, J. J. Goings, D. Nguyen, S. Wieghold, J. W. Lyding, X. Li, M. Gruebele
    J. Am. Chem. Soc.2015, 137, 14743
  16. Approximate Singly Excited States from a Two-component Hartree-Fock Reference
    J. J. Goings, F. Ding, E. R. Davidson, X. Li
    J. Chem. Phys.2015, 143, 144106
  17. Ab Initio Two-component Ehrenfest Dynamics
    F. Ding, J. J. Goings, H. Liu, D. B. Lingerfelt, X. Li
    J. Chem. Phys.2015, 143, 114105
  18. Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy
    B. Peng, P. J. Lestrange, J. J. Goings, M. Caricato, X. Li
    J. Chem. Theory Comput.2015, 11, 4146
  19. Stability of the Complex Generalized Hartree-Fock Equations
    J. J. Goings, F. Ding, M. Frisch, X. Li
    J. Chem. Phys.2015, 142, 154109
  20. Ab Initio Non-Relativistic Spin Dynamics
    F. Ding, J. J. Goings, M. Frisch, X. Li
    J. Chem. Phys.2014, 141, 214111
  21. Theoretical Characterization of Conduction-Band Electrons in Photodoped and Aluminum-Doped Zinc Oxide (AZO) Quantum Dots
    J. J. Goings, A. Schimpf, J. W. May, R. Johns. D. R. Gamelin, X. Li
    J. Phys. Chem. C2014, 118, 26584
  22. Assessment of Low-scaling Approximations to the Equation of Motion Coupled-Cluster Singles and Doubles Equations
    J. J. Goings, M. Caricato, M. Frisch, X. Li
    J. Chem. Phys.2014, 141, 164116
  23. Self-Consistent Field using Direct Inversion in Iterative Subspace Method and Quasi-Newton Vectors
    J. J. Goings, F. Ding, X. Li
    Adv. Quantum Chem.2014, 68, 77-86