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The Journal of Chemical Physics|September 3, 2017
Pair 2-electron reduced density matrix theory using localized orbitalsKade Head-Marsden, David A MazziottiThe Journal of Physical Chemistry. A|July 5, 2007
Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energiesKatherine B Shakman, David A MazziottiThe Journal of Chemical Physics|August 3, 2014
Accurate prediction of diradical chemistry from a single-reference density-matrix method: Model application to the bicyclobutane to gauche-1,3-butadiene isomerizationLuke W Bertels, David A MazziottiThe Journal of Physical Chemistry. A|July 12, 2013
Cage versus prism: electronic energies of the water hexamerJonathan J Foley, David A MazziottiThe Journal of Chemical Physics|July 24, 2010
Isomerization of nitrosomethane to formaldoxime: energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix methodA Eugene DePrince, David A MazziottiThe Journal of Chemical Physics|January 26, 2010
Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix methodA Eugene DePrince, David A MazziottiThe Journal of Chemical Physics|April 9, 2021
Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equationJan-Niklas Boyn, David A MazziottiJournal of the American Chemical Society|October 4, 2022
Reducing the Quantum Many-Electron Problem to Two Electrons with Machine LearningLeeAnn M Sager-Smith, David A MazziottiThe Journal of Physical Chemistry. A|June 9, 2021
Conductance Switching in an Organometallic Single-Electron Transistor Using Current-Constrained Reduced-Density Matrix TheoryManas Sajjan, Shayan Hemmatiyan, David A MazziottiThe Journal of Physical Chemistry Letters|February 10, 2026
Size-Consistent Quantum Chemistry on Quantum ComputersNoah Garrett, Michael Rose, David A MazziottiPageof 14