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
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
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
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
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
Horton 2.0. 0, 2015
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
Accessed: January 25, 2018
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
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 2.1. 0; 2017
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
Flexible ansatz for N-body configuration interaction
TD Kim, RA Miranda-Quintana, M Richer, PW Ayers
Computational and Theoretical Chemistry 1202, 113187, 2021
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
Exploring activity landscapes with extended similarity: is Tanimoto enough?
T Dunn, E López-López, T Kim, JLM Franco, R Miranda-Quintana
Coupled Cluster-Inspired Geminal Wavefunctions
PB Gaikwad, TD Kim, M Richer, RA Lokhande, G Sánchez-Díaz, ...
arXiv preprint arXiv:2310.01764, 2023
Flexible Ansatz for N-body Perturbation Theory
RA Miranda-Quintana, TD Kim, RA Lokhande, M Richer, G Sánchez-Díaz, ...
arXiv preprint arXiv:2310.03096, 2023
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