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Suhwan Song
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Quantifying density errors in DFT
E Sim, S Song, K Burke
The journal of physical chemistry letters 9 (22), 6385-6392, 2018
982018
Quantifying density errors in DFT
E Sim, S Song, K Burke
The journal of physical chemistry letters 9 (22), 6385-6392, 2018
982018
Density functional analysis: The theory of density-corrected DFT
S Vuckovic, S Song, J Kozlowski, E Sim, K Burke
Journal of chemical theory and computation 15 (12), 6636-6646, 2019
832019
Benchmarks and reliable DFT results for spin gaps of small ligand Fe (II) complexes
S Song, MC Kim, E Sim, A Benali, O Heinonen, K Burke
Journal of chemical theory and computation 14 (5), 2304-2311, 2018
832018
Identification of droplet-flow-induced electric energy on electrolyte–insulator–semiconductor structure
J Park, S Song, YJ Yang, SH Kwon, E Sim, YS Kim
Journal of the American Chemical Society 139 (32), 10968-10971, 2017
642017
Ion specificity on electric energy generated by flowing water droplets
J Park, S Song, CH Shin, YJ Yang, SAL Weber, E Sim, YS Kim
Angewandte Chemie International Edition 57 (8), 2091-2095, 2018
612018
Improving results by improving densities: Density-corrected density functional theory
E Sim, S Song, S Vuckovic, K Burke
Journal of the American Chemical Society 144 (15), 6625-6639, 2022
552022
Halogen and chalcogen binding dominated by density-driven errors
Y Kim, S Song, E Sim, K Burke
The journal of physical chemistry letters 10 (2), 295-301, 2018
512018
Density-corrected DFT explained: Questions and answers
S Song, S Vuckovic, E Sim, K Burke
Journal of chemical theory and computation 18 (2), 817-827, 2022
432022
Density sensitivity of empirical functionals
S Song, S Vuckovic, E Sim, K Burke
The journal of physical chemistry letters 12 (2), 800-807, 2021
382021
Measuring density-driven errors using Kohn–Sham inversion
S Nam, S Song, E Sim, K Burke
Journal of chemical theory and computation 16 (8), 5014-5023, 2020
352020
Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster
H Yi, SM Han, S Song, M Kim, E Sim, D Lee
Angewandte Chemie International Edition 60 (41), 22293-22300, 2021
222021
Seven useful questions in density functional theory
S Crisostomo, R Pederson, J Kozlowski, B Kalita, AC Cancio, K Datchev, ...
Letters in Mathematical Physics 113 (2), 42, 2023
112023
Extending density functional theory with near chemical accuracy beyond pure water
S Song, S Vuckovic, Y Kim, H Yu, E Sim, K Burke
Nature communications 14 (1), 799, 2023
102023
Direct observation of structural properties and fluorescent trapping sites in macrocyclic porphyrin arrays at the single-molecule level
S Ham, JE Lee, S Song, X Peng, T Hori, N Aratani, A Osuka, E Sim, D Kim
Physical Chemistry Chemical Physics 18 (5), 3871-3877, 2016
72016
Conformational Heterogeneity in Large Macrocyclic Thiophenes
SH Lee, S Song, J Park, E Sim, J Yang, D Kim
The Journal of Physical Chemistry Letters 10 (14), 4136-4141, 2019
42019
Superatom‐in‐Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence
H Yi, S Song, SM Han, J Lee, W Kim, E Sim, D Lee
Angewandte Chemie International Edition, e202302591, 2023
32023
Density-corrected density functional theory for open shells: How to deal with spin contamination
H Yu, S Song, S Nam, K Burke, E Sim
The Journal of Physical Chemistry Letters 14 (41), 9230-9237, 2023
12023
DC-DFT for open shells: How to deal with spin contamination
H Yu, S Song, S Nam, K Burke, E Sim
arXiv preprint arXiv:2307.10734, 2023
12023
Benchmarks and reliable DFT results for spin-crossover complexes
S Song, MC Kim, E Sim, A Benali, O Heinonen, K Burke
arXiv preprint arXiv:1708.08425, 2017
12017
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