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Farnaz Heidar-Zadeh
Farnaz Heidar-Zadeh
Assistant Professor, Department of Chemistry, Queen's University, Kingston, Canada
Verified email at queensu.ca - Homepage
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Year
Minimal basis iterative stockholder: atoms in molecules for force-field development
T Verstraelen, S Vandenbrande, F Heidar-Zadeh, L Vanduyfhuys, ...
Journal of Chemical Theory and Computation 12 (8), 3894-3912, 2016
1872016
Information-theoretic approaches to atoms-in-molecules: Hirshfeld family of partitioning schemes
F Heidar-Zadeh, PW Ayers, T Verstraelen, I Vinogradov, ...
The Journal of Physical Chemistry A 122 (17), 4219-4245, 2017
1372017
Nine questions on energy decomposition analysis
J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ...
Journal of Computational Chemistry 40 (26), 2248-2283, 2019
1342019
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
M Haghighatlari, J Li, X Guan, O Zhang, A Das, CJ Stein, F Heidar-Zadeh, ...
Digital Discovery 1 (3), 333-343, 2022
982022
Learning to make chemical predictions: the interplay of feature representation, data, and machine learning methods
M Haghighatlari, J Li, F Heidar-Zadeh, Y Liu, X Guan, T Head-Gordon
Chem 6 (7), 1527-1542, 2020
942020
Chemical transferability of functional groups follows from the nearsightedness of electronic matter
S Fias, F Heidar-Zadeh, P Geerlings, PW Ayers
Proceedings of the National Academy of Sciences 114 (44), 11633-11638, 2017
812017
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
C Cárdenas, F Heidar-Zadeh, PW Ayers
Physical Chemistry Chemical Physics 18 (36), 25721-25734, 2016
672016
An explicit approach to conceptual density functional theory descriptors of arbitrary order
F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ...
Chemical Physics Letters 660, 307-312, 2016
662016
Elementary derivation of the “| Δμ| big is good” rule
RA Miranda-Quintana, F Heidar-Zadeh, PW Ayers
The Journal of Physical Chemistry Letters 9 (15), 4344-4348, 2018
522018
When is the Fukui function not normalized? The danger of inconsistent energy interpolation models in density functional theory
F Heidar-Zadeh, RA Miranda-Quintana, T Verstraelen, P Bultinck, ...
Journal of Chemical Theory and Computation 12 (12), 5777-5787, 2016
512016
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity
E Echegaray, C Cárdenas, S Rabi, N Rabi, S Lee, FH Zadeh, ...
Journal of molecular modeling 19, 2779-2783, 2013
482013
An information-theoretic resolution of the ambiguity in the local hardness
FH Zadeh, P Fuentealba, C Cárdenas, PW Ayers
Physical Chemistry Chemical Physics 16 (13), 6019-6026, 2014
382014
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
URL http://theochem. github. com/horton, 2015
372015
The quantum divided basins: A new class of quantum subsystems
F Heidarzadeh, S Shahbazian
International Journal of Quantum Chemistry 111 (12), 2788-2801, 2011
372011
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
T Verstraelen, W Adams, L Pujal, A Tehrani, BD Kelly, L Macaya, F Meng, ...
Journal of Computational Chemistry 42 (6), 458-464, 2021
342021
Communication: Two types of flat-planes conditions in density functional theory
XD Yang, AHG Patel, RA Miranda-Quintana, F Heidar-Zadeh, ...
The Journal of Chemical Physics 145 (3), 2016
342016
Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case
M Franco-Pérez, F Heidar-Zadeh, PW Ayers, JL Gázquez, A Vela
Physical Chemistry Chemical Physics 19 (18), 11588-11602, 2017
332017
Strategies for extending geminal-based wavefunctions: Open shells and beyond
PA Johnson, PA Limacher, TD Kim, M Richer, RA Miranda-Quintana, ...
Computational and Theoretical Chemistry 1116, 207-219, 2017
322017
The axiomatic approach to chemical concepts
PW Ayers, S Fias, F Heidar-Zadeh
Computational and Theoretical Chemistry 1142, 83-87, 2018
312018
Procrustes: A python library to find transformations that maximize the similarity between matrices
F Meng, M Richer, A Tehrani, J La, TD Kim, PW Ayers, F Heidar-Zadeh
Computer Physics Communications 276, 108334, 2022
302022
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