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The Journal of Chemical Physics|May 2, 2016
Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfacesCharles W Heaps, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|October 19, 2020
Non-equilibrium steady state conductivity in cyclo[18]carbon and its boron nitride analogueAlexandra E Raeber, David A MazziottiPhysical Review Letters|March 5, 2021
Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing DevicesScott E Smart, David A MazziottiThe Journal of Physical Chemistry. A|May 30, 2020
Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong CorrelationKade Head-Marsden, David A MazziottiThe Journal of Physical Chemistry. B|July 21, 2006
Quantum chemical design of hydroxyurea derivatives for the treatment of sickle-cell anemiaBrittany A Rohrman, David A MazziottiThe Journal of Chemical Physics|March 18, 2010
Nonequilibrium, steady-state electron transport with N-representable density matrices from the anti-Hermitian contracted Schrödinger equationAdam E Rothman, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|June 4, 2019
Current-constrained one-electron reduced density-matrix theory for non-equilibrium steady-state molecular conductivityAlexandra E Raeber, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|December 24, 2011
Photoexcited tautomerization of vinyl alcohol to acetylaldehyde via a conical intersection from contracted Schrödinger theoryJames W Snyder, David A MazziottiThe Journal of Physical Chemistry. A|November 15, 2011
Conical intersection of the ground and first excited states of water: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equationJames W Snyder, David A MazziottiThe Journal of Chemical Physics|December 16, 2014
Relations between environmental noise and electronic coupling for optimal exciton transfer in one- and two-dimensional homogeneous and inhomogeneous quantum systemsCharles C Forgy, David A MazziottiPageof 14