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Taewon D. Kim
Taewon D. Kim
Ph.D. Chemistry
Verified email at mcmaster.ca
Title
Cited by
Cited by
Year
The influence of orbital rotation on the energy of closed-shell wavefunctions
PA Limacher, TD Kim, PW Ayers, PA Johnson, S De Baerdemacker, ...
Molecular Physics 112 (5-6), 853-862, 2014
932014
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
572016
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
URL http://theochem. github. com/horton, 2015
342015
The HSAB principle from a finite-temperature grand-canonical perspective
RA Miranda-Quintana, TD Kim, C Cárdenas, PW Ayers
Theoretical Chemistry Accounts 136, 1-6, 2017
312017
Diversity and chemical library networks of large data sets
TB Dunn, GM Seabra, TD Kim, KE Juárez-Mercado, C Li, ...
Journal of Chemical Information and Modeling 62 (9), 2186-2201, 2021
302021
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
272017
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
252021
Chemoinformatic characterization of synthetic screening libraries focused on epigenetic targets
EA Flores‐Padilla, KE Juárez‐Mercado, JJ Naveja, TD Kim, ...
Molecular Informatics 41 (6), 2100285, 2022
182022
Extended continuous similarity indices: theory and application for QSAR descriptor selection
A Rácz, TB Dunn, D Bajusz, TD Kim, RA Miranda-Quintana, K Héberger
Journal of Computer-Aided Molecular Design 36 (3), 157-173, 2022
162022
On the impossibility of unambiguously selecting the best model for fitting data
RA Miranda-Quintana, TD Kim, F Heidar-Zadeh, PW Ayers
Journal of Mathematical Chemistry 57, 1755-1769, 2019
142019
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
132022
Horton 2.0. 0, 2015
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
Accessed: January 25, 2018
132018
Flexible ansatz for N-body configuration interaction
TD Kim, RA Miranda-Quintana, M Richer, PW Ayers
Computational and Theoretical Chemistry 1202, 113187, 2021
122021
Exploring activity landscapes with extended similarity: is Tanimoto enough?
TB Dunn, E López‐López, TD Kim, JL Medina‐Franco, ...
Molecular Informatics 42 (7), 2300056, 2023
92023
Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry
TD Kim, M Richer, G Sánchez‐Díaz, RA Miranda‐Quintana, T Verstraelen, ...
Journal of Computational Chemistry 44 (5), 697-709, 2023
72023
HORTON 2.1. 0; 2017
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
7
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
22024
Coupled cluster-inspired geminal wavefunctions
PB Gaikwad, TD Kim, M Richer, RA Lokhande, G Sánchez-Díaz, ...
The Journal of Chemical Physics 160 (14), 2024
22024
Flexible Ansatz for N-Body Perturbation Theory
RA Miranda-Quintana, TD Kim, RA Lokhande, M Richer, G Sánchez-Díaz, ...
The Journal of Physical Chemistry A 128 (17), 3458-3467, 2024
2024
iSIM: instant similarity
K López-Pérez, TD Kim, RA Miranda-Quintana
Digital Discovery, 2024
2024
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Articles 1–20