| 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 | 38 | 2021 |
| 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 | 31 | 2022 |
| The tale of HORTON: Lessons learned in a decade of scientific software development M Chan, T Verstraelen, A Tehrani, M Richer, XD Yang, TD Kim, ... The Journal of Chemical Physics 160 (16), 2024 | 14 | 2024 |
| ChemTools: Gain chemical insight from quantum chemistry calculations L Pujal*, A Tehrani*, F Heidar‐Zadeh Conceptual Density Functional Theory: Towards a New Chemical Reactivity …, 2022 | 12 | 2022 |
| An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions A Tehrani, JSM Anderson, D Chakraborty, JI Rodriguez‐Hernandez, ... Journal of Computational Chemistry 44 (25), 1998-2015, 2023 | 11 | 2023 |
| Grid: A Python library for molecular integration, interpolation, differentiation, and more A Tehrani, XD Yang, M Martínez-González, L Pujal, ... The Journal of Chemical Physics 160 (17), 2024 | 10 | 2024 |
| GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions TD Kim, L Pujal, M Richer, M van Zyl, M Martínez-González, A Tehrani, ... The Journal of Chemical Physics 161 (4), 2024 | 9 | 2024 |
| Conceptual Density Functional Theory L Pujal, A Tehrani, F Heidar-Zadeh Conceptual Density Functional Theory, 2022 | 8 | 2022 |
| CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems A Tehrani, M Richer, F Heidar-Zadeh The Journal of Chemical Physics 161 (7), 2024 | 5 | 2024 |
| The coherent information on the manifold of positive definite density matrices A Tehrani, R Pereira Journal of Mathematical Physics 62 (4), 2021 | 4 | 2021 |
| PyCI: A Python-scriptable library for arbitrary determinant CI M Richer, G Sánchez-Díaz, M Martínez-González, V Chuiko, TD Kim, ... The Journal of Chemical Physics 161 (13), 2024 | 3 | 2024 |
| The Critical Points of Coherent Information on the Manifold of Positive Definite Matrices A Tehrani University of Guelph, 2020 | 1 | 2020 |
| AtomDB: A Python Library and Database for Atomic and Promolecular Properties G Sánchez Díaz, M Richer, M Martínez González, M van Zyl, L Pujal, ... The Journal of Physical Chemistry A, 2025 | | 2025 |
