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Journal of Chemical Theory and Computation
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December 18, 2018
Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods
Mohammad Mostafanejad, A Eugene DePrince
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2019
Kinetic-energy-based error quantification in Kohn-Sham density functional theory
Mohammad Mostafanejad, Jessica Haney, A Eugene DePrince
The Journal of Chemical Physics
|
September 3, 2024
Numerical analysis of the complete active-space extended Koopmans's theorem
Reza Hemmati, Mohammad Mostafanejad, J V Ortiz
Journal of Chemical Theory and Computation
|
February 27, 2020
Global Hybrid Multiconfiguration Pair-Density Functional Theory
Mohammad Mostafanejad, Marcus Dante Liebenthal, A Eugene DePrince
The Journal of Physical Chemistry. A
|
July 18, 2025
SEAMM: A Simulation Environment for Atomistic and Molecular Modeling
Paul Saxe, Jessica Nash, Mohammad Mostafanejad, et al.
Journal of Chemical Theory and Computation
|
September 26, 2019
Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory
J Wayne Mullinax, Elvis Maradzike, Lauren N Koulias, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 18, 2018
Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods
Mohammad Mostafanejad, A Eugene DePrince
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2019
Kinetic-energy-based error quantification in Kohn-Sham density functional theory
Mohammad Mostafanejad, Jessica Haney, A Eugene DePrince
The Journal of Chemical Physics
|
September 3, 2024
Numerical analysis of the complete active-space extended Koopmans's theorem
Reza Hemmati, Mohammad Mostafanejad, J V Ortiz
Journal of Chemical Theory and Computation
|
February 27, 2020
Global Hybrid Multiconfiguration Pair-Density Functional Theory
Mohammad Mostafanejad, Marcus Dante Liebenthal, A Eugene DePrince
The Journal of Physical Chemistry. A
|
July 18, 2025
SEAMM: A Simulation Environment for Atomistic and Molecular Modeling
Paul Saxe, Jessica Nash, Mohammad Mostafanejad, et al.
Journal of Chemical Theory and Computation
|
September 26, 2019
Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory
J Wayne Mullinax, Elvis Maradzike, Lauren N Koulias, et al.
Page
of 1