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Farnaz Heidar‐Zadeh

queens university - canada

25H-index
92Paper Count
2.3KCitation Count
Published Papers 41
Publication Date
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Permanent electrostatic moments through the lens of atoms: assessing variational Hirshfeld methods
errrsc adv.
IF0
err2026-04-17
err0
errOAAI
errMaximilian van Zyl; Carlos Castillo-Orellana; Leila Pujal; Farnaz Heidar-Zadeh
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Systematic Testing of the Maximum Hardness and Minimum Electrophilicity Principles
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-10
err0
PREAI
errAbdul Rahman Al Nabulsi; Farnaz Heidar-Zadeh; PaulPaul W. Ayers
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Ubiquitous Negative Electron Densities Discredit Smooth Energy Interpolation in Density Functional Theory
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-08
err0
PREAI
errMichelle Richer; Marco Martínez González; Gabriela Sanchez-Diaz; Ramón Alain Miranda-Quintana; Farnaz Heidar-Zadeh; Paul W. Ayers
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Revisiting the Maximum Hardness Principle: A Quantitative Analysis on Reaction Datasets
errJournal of Computational Chemistry
IF4.8
err2026-04-08
err0
PREAI
errAshima Bajaj; Farnaz Heidar-Zadeh; Thijs Stuyver; Scott Habershon; Paul W.Ayers; Frank De Proft
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Reverse Engineering Atomic Densities for Charge Model 5 (CM5) to Compute Atomic Properties Beyond Charges
errThe Journal of Physical Chemistry Letters
IF0
err2026-03-02
err0
PREAI
errFarnaz Heidar-Zadeh; Omid Hosseinzadeh
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Electronegativity as a Ranking of Atoms' and Functional Groups' Ability to Take Electrons from Other Moieties in a Molecule
errJournal of Physical Chemistry A
IF2.8
err2026-02-01
err1
PREAI
errAl Nabulsi, Abdul Rahman; Heidar-Zadeh, Farnaz; Adams, William; Ayers, Paul W.
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errSave
Selector: A General Python Library for Diverse Subset Selection
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-27
err0
PREAI
errFanwang Meng; Marco Martínez González; Valerii Chuiko; Alireza Tehrani; Abdul Rahman Al Nabulsi; Abigail Broscius; Hasan Khaleel; Kenneth López-Pérez; Ramón Alain Miranda-Quintana; Paul W. Ayers; Farnaz Heidar-Zadeh
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SHREC 2025: Protein surface shape retrieval including electrostatic potential
errcomputers
IF0
err2025-08-27
err0
errOAAI
errTaher Yacoub; Camille Depenveiller; Atsushi Tatsuma; Tin Barisin; Eugen Rusakov; Udo Göbel; Yuxu Peng; Shiqiang Deng; Yuki Kagaya; Joon Hong Park; Daisuke Kihara; Marco Guerra; Giorgio Palmieri; Andrea Ranieri; Ulderico Fugacci; Silvia Biasotti; Ruiwen He; Halim Benhabiles; Adnane Cabani; Karim Hammoudi; Haotian Li; Hao Huang; Chunyan Li; Alireza Tehrani; Fanwang Meng; Farnaz Heidar-Zadeh; Tuan-Anh Yang; Matthieu Montes
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Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-04
err0
PREAI
errWang, Bin; Geerlings, Paul; Heidar-Zadeh, Farnaz; Ayers, Paul W.; De Proft, Frank
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errSave
Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-08
err4
PREAI
errHeidar-Zadeh, Farnaz; Castillo-Orellana, Carlos; van Zyl, Maximilian; Pujal, Leila; Verstraelen, Toon; Bultinck, Patrick; Vohringer-Martinez, Esteban; Ayers, Paul W.
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ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-07
err1
PREAI
errChuiko, Valerii; Richards, Addison D. S.; Sanchez-Diaz, Gabriela; Martinez-Gonzalez, Marco; Sanchez, Wesley; Da Rosa, Giovanni B.; Richer, Michelle; Zhao, Yilin; Adams, William; Johnson, Paul A.; Heidar-Zadeh, Farnaz; Ayers, Paul W.
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errSave
PyCI: A Python-scriptable library for arbitrary determinant CI
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-04
err2
PREAI
errRicher, Michelle; Sanchez-Diaz, Gabriela; Martinez-Gonzalez, Marco; Chuiko, Valerii; Kim, Taewon David; Tehrani, Alireza; Wang, Shuoyang; Gaikwad, Pratiksha B.; de Moura, Carlos E. V.; Masschelein, Cassandra; Miranda-Quintana, Ramon Alain; Gerolin, Augusto; Heidar-Zadeh, Farnaz; Ayers, Paul W.
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CuGBasis : High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-19
err4
PREAI
errTehrani, Alireza; Richer, Michelle; Heidar-Zadeh, Farnaz
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GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-30
err6
PREAI
errKim, Taewon David; Pujal, Leila; Richer, Michelle; van Zyl, Maximilian; Martinez-Gonzalez, Marco; Tehrani, Alireza; Chuiko, Valerii; Sanchez-Diaz, Gabriela; Sanchez, Wesley; Adams, William; Huang, Xiaomin; Kelly, Braden D.; Vohringer-Martinez, Esteban; Verstraelen, Toon; Heidar-Zadeh, Farnaz; Ayers, Paul W.
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Spin-Polarized Conceptual Density Functional Theory from the Convex Hull
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-31
err3
PREAI
errRicher, Michelle; Heidar-Zadeh, Farnaz; Rios-Gutierrez, Mar; Yang, Xiaotian Derrick; Ayers, Paul W.
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errSave
Grid : A Python library for molecular integration, interpolation, differentiation, and more
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-03
err8
errOAAI
errTehrani, Alireza; Yang, Xiaotian Derrick; Martinez-Gonzalez, Marco; Pujal, Leila; Hernandez-Esparza, Raymundo; Chan, Matthew; Vohringer-Martinez, Esteban; Verstraelen, Toon; Ayers, Paul W.; Heidar-Zadeh, Farnaz
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errSave
The tale of HORTON: Lessons learned in a decade of scientific software development
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-23
err12
errOAAI
errChan, Matthew; Verstraelen, Toon; Tehrani, Alireza; Richer, Michelle; Yang, Xiaotian Derrick; Kim, Taewon David; Voehringer-Martinez, Esteban; Heidar-Zadeh, Farnaz; Ayers, Paul W.
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Temperature and external fields in conceptual density functional theory
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errFranco-Perez, Marco; Heidar-Zadeh, Farnaz; Ayers, Paul W.; De Proft, Frank; Vela, Alberto; Gazquez, Jose L.; Geerlings, Paul
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errSave
The Energetic Origins of Pi-Pi Contacts in Proteins
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-11-02
err17
errOAAI
errCarter-Fenk, Kevin; Liu, Meili; Pujal, Leila; Loipersberger, Matthias; Tsanai, Maria; Vernon, Robert M.; Forman-Kay, Julie D.; Head-Gordon, Martin; Heidar-Zadeh, Farnaz; Head-Gordon, Teresa
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An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-06-25
err10
errOAAI
errTehrani, Alireza; Anderson, James S. M.; Chakraborty, Debajit; Rodriguez-Hernandez, Juan I.; Thompson, David C.; Verstraelen, Toon; Ayers, Paul W.; Heidar-Zadeh, Farnaz
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Research Directions

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Co-authors
Cooperation Journals
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
G
Gernot Frenking
H-index: 116 · Papers: 1.4K
V
Véronique Van Speybroeck
H-index: 92 · Papers: 825
J
Julie D. Forman‐Kay
H-index: 87 · Papers: 375
R
Robert G. Parr
H-index: 86 · Papers: 384
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