| Thiazole‐Linked Covalent Organic Framework Promoting Fast Two‐Electron Transfer for Lithium‐Organic Batteries V Singh, J Kim, B Kang, J Moon, S Kim, WY Kim, HR Byon Advanced Energy Materials 11 (17), 2003735, 2021 | 81 | 2021 |
| Palladium-Catalyzed Dehydrative Cross-Coupling of Allylic Alcohols and N-Heterocycles Promoted by a Bicyclic Bridgehead Phosphoramidite Ligand and an Acid Additive K Kang, J Kim, A Lee, WY Kim, H Kim Organic letters 18 (3), 616-619, 2016 | 42 | 2016 |
| Study of Li adsorption on graphdiyne using hybrid DFT calculations J Kim, S Kang, J Lim, WY Kim ACS applied materials & interfaces 11 (3), 2677-2683, 2018 | 41 | 2018 |
| Computational searching for new stable graphyne structures and their electronic properties H Kim, Y Kim, J Kim, WY Kim Carbon 98, 404-410, 2016 | 40 | 2016 |
| 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, 31434-31443, 2015 | 26 | 2015 |
| Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules S Choi, K Hong, J Kim, WY Kim The Journal of chemical physics 142 (9), 2015 | 24 | 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 |
| Feature of Exact Exchange Kohn–Sham Orbitals with Krieger–Li–Iafrate Approximation# J Kim, K Hong, S Choi, WY Kim Bulletin of the Korean Chemical Society 36 (3), 998-1007, 2015 | 14 | 2015 |
| ACE-Molecule: An open-source real-space quantum chemistry package S Kang, J Woo, J Kim, H Kim, Y Kim, J Lim, S Choi, WY Kim The Journal of Chemical Physics 152 (12), 2020 | 10 | 2020 |
| Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method J Lim, S Choi, J Kim, WY Kim The Journal of Chemical Physics 145 (22), 2016 | 10 | 2016 |
| Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid S Choi, OK Kwon, J Kim, WY Kim Journal of Computational Chemistry 37 (24), 2193-2201, 2016 | 10 | 2016 |
| Update to ACE‐molecule: Projector augmented wave method on lagrange‐sinc basis set S Kang, S Ryu, S Choi, J Kim, K Hong, WY Kim International Journal of Quantum Chemistry 116 (8), 644-650, 2016 | 10 | 2016 |
| Non-empirical atomistic dipole-interaction-model for quantum plasmon simulation of nanoparticles J Lim, S Kang, J Kim, WY Kim, S Ryu Scientific reports 7 (1), 15775, 2017 | 7 | 2017 |
| Improvement of initial guess via grid‐cutting for efficient grid‐based density functional calculations J Lim, S Choi, S Kang, J Kim, K Hong, WY Kim International Journal of Quantum Chemistry 116 (19), 1397-1403, 2016 | 7 | 2016 |
| 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 |
| Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networks Y Kim, J Kim, KY Baek, WY Kim Physical Chemistry Chemical Physics 20 (12), 8185-8191, 2018 | 3 | 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 |
| Holistic Approach to the Mechanism Study of Thermal Degradation of Organic Light-Emitting Diode Materials JW Kim, J Kim, J Kim, J Chwae, S Kang, SO Jeon, WJ Son, H Choi, ... The Journal of Physical Chemistry A 124 (46), 9589-9596, 2020 | 1 | 2020 |
| Critical role of electrons in the short lifetime of blue OLEDs J Kim, J Kim, Y Kim, Y Son, Y Shin, HJ Bae, JW Kim, S Nam, Y Jung, ... Nature Communications 14 (1), 7508, 2023 | | 2023 |
Woo Youn KimProfessor of Chemistry, KAIST在 kaist.ac.kr 的电子邮件经过验证
