Publications by authors named "Mohammad Mostafanejad"

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SEAMM: A Simulation Environment for Atomistic and Molecular Modeling.
Paul Saxe, Jessica Nash, Mohammad Mostafanejad, Eliseo Marin-Rimoldi, Hasnain Hafiz

J Phys Chem A· July 2025

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Numerical analysis of the complete active-space extended Koopmans's theorem.
Reza Hemmati, Mohammad Mostafanejad, J V Ortiz

J Chem Phys· September 2024

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Global Hybrid Multiconfiguration Pair-Density Functional Theory.
Mohammad Mostafanejad, Marcus Dante Liebenthal, A Eugene DePrince

J Chem Theory Comput· April 2020

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Kinetic-energy-based error quantification in Kohn-Sham density functional theory.
Mohammad Mostafanejad, Jessica Haney, A Eugene DePrince

Phys Chem Chem Phys· December 2019

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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, Mohammad Mostafanejad, Evgeny Epifanovsky

J Chem Theory Comput· November 2019

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Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods.
Mohammad Mostafanejad, A Eugene DePrince

J Chem Theory Comput· January 2019

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