| Diamine-functionalized metal–organic framework: exceptionally high CO 2 capacities from ambient air and flue gas, ultrafast CO 2 uptake rate, and adsorption mechanism WR Lee, SY Hwang, DW Ryu, KS Lim, SS Han, D Moon, J Choi, CS Hong Energy & Environmental Science 7 (2), 744-751, 2014 | 302 | 2014 |
| Reversible disorder-order transitions in atomic crystal nucleation S Jeon, T Heo, SY Hwang, J Ciston, KC Bustillo, BW Reed, J Ham, ... Science 371 (6528), 498-503, 2021 | 188 | 2021 |
| Scaffold-based molecular design with a graph generative model J Lim, SY Hwang, S Moon, S Kim, WY Kim Chemical science 11 (4), 1153-1164, 2020 | 184 | 2020 |
| Configuration interaction singles based on the real-space numerical grid method: Kohn–Sham versus Hartree–Fock orbitals J Kim, K Hong, S Choi, SY Hwang, WY Kim Physical Chemistry Chemical Physics 17 (47), 31434-31443, 2015 | 28 | 2015 |
| Effects of the locality of a potential derived from hybrid density functionals on Kohn–Sham orbitals and excited states J Kim, K Hong, SY Hwang, S Ryu, S Choi, WY Kim Physical Chemistry Chemical Physics 19 (15), 10177-10186, 2017 | 20 | 2017 |
| PIGNet2: a versatile deep learning-based protein–ligand interaction prediction model for binding affinity scoring and virtual screening S Moon, SY Hwang, J Lim, WY Kim Digital Discovery 3 (2), 287-299, 2024 | 19 | 2024 |
| Kohn–Sham approach for fast hybrid density functional calculations in real-space numerical grid methods J Kim, S Kang, J Lim, SY Hwang, WY Kim Computer Physics Communications 230, 21-26, 2018 | 5 | 2018 |
| Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systems SY Hwang, J Kim, WY Kim Physical Chemistry Chemical Physics 20 (14), 9146-9156, 2018 | 2 | 2018 |
| Scaffold-based molecular design using graph generative model J Lim, SY Hwang, S Kim, S Moon, WY Kim arXiv preprint arXiv:1905.13639, 2019 | | 2019 |
| Visual and quantitative characterizations of molecular charge-transfer systems using the fragment-orbital tunneling current SY Hwang, J Kim, WY Kim 2018 Electron Donor-Acceptor Interactions, 2018 | | 2018 |
| Probability current analysis and the charge transfer integral in organic semiconducting materials SY Hwang, WY Kim 11th Triennial Congress of the World Association of Theoretical and …, 2017 | | 2017 |
Woo Youn KimProfessor of Chemistry and Graduate School of Data Science, KAISTВерификована је имејл адреса на kaist.ac.kr