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The 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 MazziottiThe Journal of Physical Chemistry. A|March 21, 2013
Theoretical prediction of the structures and energies of olympicene and its isomersAndrew J S Valentine, David A MazziottiThe Journal of Physical Chemistry Letters|June 18, 2026
Direct Variational Calculation of Two-Electron Reduced Density Matrices via Semidefinite Machine LearningLuis H Delgado-Granados, David A MazziottiThe Journal of Chemical Physics|July 23, 2025
Spin adaptation of the cumulant expansions of reduced density matricesJulia Liebert, Christian Schilling, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|February 1, 2023
Protonation state control of electric field induced molecular switching mechanismsEmily M Kempfer-Robertson, Irma Avdic, Meagan N Haase, et al.The Journal of Physical Chemistry. A|October 21, 2022
Role of Exact Exchange in Difference Projected Double-Hybrid Density Functional Theory for Treatment of Local, Charge Transfer, and Rydberg ExcitationsEmily M Kempfer-Robertson, Meagan N Haase, Jonathan S Bersson, et al.The Journal of Chemical Physics|June 24, 2008
Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometriesA Eugene DePrince, Eugene Kamarchik, David A MazziottiPageof 14