List of works - Joshua J. Goings

Ab initio non-relativistic spin dynamics

scientific article published in December 2014

Ab initio two-component Ehrenfest dynamics.

scientific article published in September 2015

Accelerating Real-Time Time-Dependent Density Functional Theory with a Nonrecursive Chebyshev Expansion of the Quantum Propagator

scientific article published on 17 October 2016

An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

scientific article published in June 2016

Approximate singly excited states from a two-component Hartree-Fock reference

scientific article published on 01 October 2015

Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.

scientific article published in October 2014

Breaking Symmetry in Time-dependent Electronic Structure Theory to Describe Spectroscopic Properties of Non-collinear and Chiral Molecules ⬇️

doctoral dissertation by Joshua James Goings, Chemistry, University of Washington, 2017

Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?

scientific article

Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays

scientific article published on 31 October 2018

Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures

scientific article published on 7 July 2016

Early Photocycle of Slr1694 Blue-Light Using Flavin Photoreceptor Unraveled through Adiabatic Excited-State Quantum Mechanical/Molecular Mechanical Dynamics

scientific article published on 10 December 2019

Electron-Coupled Double Proton Transfer in the Slr1694 BLUF Photoreceptor: A Multireference Electronic Structure Study

scientific article published on 03 January 2019

Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy

scientific article published on 13 August 2015

Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state

scientific article published on 09 October 2020

Imaging Excited Orbitals of Quantum Dots: Experiment and Electronic Structure Theory

scientific article published on 30 October 2015

Orientation-dependent imaging of electronically excited quantum dots

scientific article published in February 2018

Propensity for Proton Relay and Electrostatic Impact of Protein Reorganization in Slr1694 BLUF Photoreceptor

scientific article published on 31 October 2018

Proton-Coupled Electron Transfer Drives Long-Range Proton Translocation in Bioinspired Systems

scientific article published on 13 August 2019

Real time propagation of the exact two component time-dependent density functional theory

scientific article published on September 2016

Reinforcement Learning Configuration Interaction

scientific article published on 23 August 2021

Role of Intact Hydrogen-Bond Networks in Multiproton-Coupled Electron Transfer

scientific article published on 18 December 2020

Sorption of H2 to open metal sites in a metal-organic framework: a symmetry-adapted perturbation theory analysis

scientific article published on 29 April 2014

Stability of the complex generalized Hartree-Fock equations

scientific article published in April 2015

List of works by Joshua J. Goings