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The Journal of Chemical Physics
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August 19, 2024
CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems
Alireza Tehrani, Michelle Richer, Farnaz Heidar-Zadeh
International Journal of Quantum Chemistry
|
December 23, 2024
Graphical Approach to Interpreting and Efficiently Evaluating Geminal Wavefunctions
Michelle Richer, Taewon D Kim, Paul W Ayers
Journal of Chemical Theory and Computation
|
May 31, 2024
Spin-Polarized Conceptual Density Functional Theory from the Convex Hull
Michelle Richer, Farnaz Heidar-Zadeh, Mar Ríos-Gutiérrez, et al.
The Journal of Physical Chemistry Letters
|
April 8, 2026
Ubiquitous Negative Electron Densities Discredit Smooth Energy Interpolation in Density Functional Theory
Michelle Richer, Marco Martínez González, Gabriela Sanchez-Diaz, et al.
The Journal of Chemical Physics
|
October 13, 2025
Seniority-zero states are mean-field wavefunctions
Marco Martínez González, Daniel F Calero-Osorio, Michelle Richer, et al.
The Journal of Chemical Physics
|
April 23, 2024
The tale of HORTON: Lessons learned in a decade of scientific software development
Matthew Chan, Toon Verstraelen, Alireza Tehrani, et al.
The Journal of Physical Chemistry. A
|
February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular Properties
Gabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
The Journal of Chemical Physics
|
October 7, 2024
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
Valerii Chuiko, Addison D S Richards, Gabriela Sánchez-Díaz, et al.
The Journal of Chemical Physics
|
October 4, 2024
PyCI: A Python-scriptable library for arbitrary determinant CI
Michelle Richer, Gabriela Sánchez-Díaz, Marco Martínez-González, et al.
The Journal of Chemical Physics
|
July 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
Taewon David Kim, Leila Pujal, Michelle Richer, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
August 19, 2024
CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems
Alireza Tehrani, Michelle Richer, Farnaz Heidar-Zadeh
International Journal of Quantum Chemistry
|
December 23, 2024
Graphical Approach to Interpreting and Efficiently Evaluating Geminal Wavefunctions
Michelle Richer, Taewon D Kim, Paul W Ayers
Journal of Chemical Theory and Computation
|
May 31, 2024
Spin-Polarized Conceptual Density Functional Theory from the Convex Hull
Michelle Richer, Farnaz Heidar-Zadeh, Mar Ríos-Gutiérrez, et al.
The Journal of Physical Chemistry Letters
|
April 8, 2026
Ubiquitous Negative Electron Densities Discredit Smooth Energy Interpolation in Density Functional Theory
Michelle Richer, Marco Martínez González, Gabriela Sanchez-Diaz, et al.
The Journal of Chemical Physics
|
October 13, 2025
Seniority-zero states are mean-field wavefunctions
Marco Martínez González, Daniel F Calero-Osorio, Michelle Richer, et al.
The Journal of Chemical Physics
|
April 23, 2024
The tale of HORTON: Lessons learned in a decade of scientific software development
Matthew Chan, Toon Verstraelen, Alireza Tehrani, et al.
The Journal of Physical Chemistry. A
|
February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular Properties
Gabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
The Journal of Chemical Physics
|
October 7, 2024
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
Valerii Chuiko, Addison D S Richards, Gabriela Sánchez-Díaz, et al.
The Journal of Chemical Physics
|
October 4, 2024
PyCI: A Python-scriptable library for arbitrary determinant CI
Michelle Richer, Gabriela Sánchez-Díaz, Marco Martínez-González, et al.
The Journal of Chemical Physics
|
July 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
Taewon David Kim, Leila Pujal, Michelle Richer, et al.
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