Heidar-Zadeh F - Search Results

1

CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems.

Tehrani A, Richer M, Heidar-Zadeh F. Tehrani A, et al. Among authors: heidar zadeh f. J Chem Phys. 2024 Aug 21;161(7):072501. doi: 10.1063/5.0216781. J Chem Phys. 2024. PMID: 39158048

2

Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes.

Heidar-Zadeh F, Ayers PW, Verstraelen T, Vinogradov I, Vöhringer-Martinez E, Bultinck P. Heidar-Zadeh F, et al. J Phys Chem A. 2018 May 3;122(17):4219-4245. doi: 10.1021/acs.jpca.7b08966. Epub 2018 Apr 20. J Phys Chem A. 2018. PMID: 29148815

3

A reference-free stockholder partitioning method based on the force on electrons.

Fias S, Heidar-Zadeh F, Anderson JSM, Ayers PW, Parr RG. Fias S, et al. J Comput Chem. 2018 Jun 30;39(17):1044-1050. doi: 10.1002/jcc.25114. Epub 2017 Nov 19. J Comput Chem. 2018. PMID: 29151263

4

Elementary Derivation of the "|Δμ| Big Is Good" Rule.

Miranda-Quintana RA, Heidar-Zadeh F, Ayers PW. Miranda-Quintana RA, et al. J Phys Chem Lett. 2018 Aug 2;9(15):4344-4348. doi: 10.1021/acs.jpclett.8b01312. Epub 2018 Jul 20. J Phys Chem Lett. 2018. PMID: 29944379

5

Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods.

Heidar-Zadeh F, Ayers PW, Bultinck P. Heidar-Zadeh F, et al. J Mol Model. 2017 Nov 21;23(12):348. doi: 10.1007/s00894-017-3514-6. J Mol Model. 2017. PMID: 29164339

6

Chemical transferability of functional groups follows from the nearsightedness of electronic matter.

Fias S, Heidar-Zadeh F, Geerlings P, Ayers PW. Fias S, et al. Proc Natl Acad Sci U S A. 2017 Oct 31;114(44):11633-11638. doi: 10.1073/pnas.1615053114. Epub 2017 Oct 16. Proc Natl Acad Sci U S A. 2017. PMID: 29078266 Free PMC article.

7

IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.

Verstraelen T, Adams W, Pujal L, Tehrani A, Kelly BD, Macaya L, Meng F, Richer M, Hernández-Esparza R, Yang XD, Chan M, Kim TD, Cools-Ceuppens M, Chuiko V, Vöhringer-Martinez E, Ayers PW, Heidar-Zadeh F. Verstraelen T, et al. J Comput Chem. 2021 Mar 5;42(6):458-464. doi: 10.1002/jcc.26468. Epub 2020 Dec 27. J Comput Chem. 2021. PMID: 33368350

8

Constrained iterative Hirshfeld charges: A variational approach.

Pujal L, van Zyl M, Vöhringer-Martinez E, Verstraelen T, Bultinck P, Ayers PW, Heidar-Zadeh F. Pujal L, et al. J Chem Phys. 2022 May 21;156(19):194109. doi: 10.1063/5.0089466. J Chem Phys. 2022. PMID: 35597660

9

Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry.

Kim TD, Richer M, Sánchez-Díaz G, Miranda-Quintana RA, Verstraelen T, Heidar-Zadeh F, Ayers PW. Kim TD, et al. J Comput Chem. 2023 Feb 15;44(5):697-709. doi: 10.1002/jcc.27034. Epub 2022 Nov 28. J Comput Chem. 2023. PMID: 36440947

10

An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions.

Tehrani A, Anderson JSM, Chakraborty D, Rodriguez-Hernandez JI, Thompson DC, Verstraelen T, Ayers PW, Heidar-Zadeh F. Tehrani A, et al. J Comput Chem. 2023 Sep 30;44(25):1998-2015. doi: 10.1002/jcc.27170. Epub 2023 Jun 25. J Comput Chem. 2023. PMID: 37526138

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

35 results

Search Page

Filters