Taewon D. Kim
Taewon D. Kim
Ph.D. Chemistry
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Cited by
Cited by
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
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
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
URL http://theochem. github. com/horton, 2015
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
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
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
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
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
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
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
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
Horton 2.0. 0, 2015
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
Accessed: January 25, 2018
Flexible ansatz for N-body configuration interaction
TD Kim, RA Miranda-Quintana, M Richer, PW Ayers
Computational and Theoretical Chemistry 1202, 113187, 2021
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
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
HORTON 2.1. 0; 2017
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
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
Coupled cluster-inspired geminal wavefunctions
PB Gaikwad, TD Kim, M Richer, RA Lokhande, G Sánchez-Díaz, ...
The Journal of Chemical Physics 160 (14), 2024
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
iSIM: instant similarity
K López-Pérez, TD Kim, RA Miranda-Quintana
Digital Discovery, 2024
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