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Physical Review Letters
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March 5, 2021
Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices
Scott E Smart, David A Mazziotti
The Journal of Physical Chemistry. A
|
May 30, 2020
Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong Correlation
Kade Head-Marsden, David A Mazziotti
The Journal of Physical Chemistry. B
|
July 21, 2006
Quantum chemical design of hydroxyurea derivatives for the treatment of sickle-cell anemia
Brittany A Rohrman, David A Mazziotti
The Journal of Chemical Physics
|
March 18, 2010
Nonequilibrium, steady-state electron transport with N-representable density matrices from the anti-Hermitian contracted Schrödinger equation
Adam E Rothman, David A Mazziotti
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2019
Current-constrained one-electron reduced density-matrix theory for non-equilibrium steady-state molecular conductivity
Alexandra E Raeber, David A Mazziotti
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2011
Photoexcited tautomerization of vinyl alcohol to acetylaldehyde via a conical intersection from contracted Schrödinger theory
James W Snyder, David A Mazziotti
The 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 equation
James W Snyder, David A Mazziotti
The 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 systems
Charles C Forgy, David A Mazziotti
The Journal of Chemical Physics
|
September 3, 2017
Pair 2-electron reduced density matrix theory using localized orbitals
Kade Head-Marsden, David A Mazziotti
The Journal of Physical Chemistry. A
|
July 5, 2007
Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energies
Katherine B Shakman, David A Mazziotti
Page
of 25
Search research articles
Search
Showing results (71-80 of 248) with videos related to
Sort By:
Page
of 25
Physical Review Letters
|
March 5, 2021
Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices
Scott E Smart, David A Mazziotti
The Journal of Physical Chemistry. A
|
May 30, 2020
Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong Correlation
Kade Head-Marsden, David A Mazziotti
The Journal of Physical Chemistry. B
|
July 21, 2006
Quantum chemical design of hydroxyurea derivatives for the treatment of sickle-cell anemia
Brittany A Rohrman, David A Mazziotti
The Journal of Chemical Physics
|
March 18, 2010
Nonequilibrium, steady-state electron transport with N-representable density matrices from the anti-Hermitian contracted Schrödinger equation
Adam E Rothman, David A Mazziotti
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2019
Current-constrained one-electron reduced density-matrix theory for non-equilibrium steady-state molecular conductivity
Alexandra E Raeber, David A Mazziotti
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2011
Photoexcited tautomerization of vinyl alcohol to acetylaldehyde via a conical intersection from contracted Schrödinger theory
James W Snyder, David A Mazziotti
The 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 equation
James W Snyder, David A Mazziotti
The 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 systems
Charles C Forgy, David A Mazziotti
The Journal of Chemical Physics
|
September 3, 2017
Pair 2-electron reduced density matrix theory using localized orbitals
Kade Head-Marsden, David A Mazziotti
The Journal of Physical Chemistry. A
|
July 5, 2007
Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energies
Katherine B Shakman, David A Mazziotti
Page
of 25