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 | 24 | 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 | 12 | 2022 |
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 | 7 | 2022 |
The coherent information on the manifold of positive definite density matrices A Tehrani, R Pereira Journal of Mathematical Physics 62 (4), 2021 | 4 | 2021 |
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 | 2 | 2024 |
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 | 2 | 2023 |
The Critical Points of Coherent Information on the Manifold of Positive Definite Matrices A Tehrani University of Guelph, 2020 | 1 | 2020 |
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 | | 2024 |