| Deep-learning-based inverse design model for intelligent discovery of organic molecules K Kim, S Kang, J Yoo, Y Kwon, Y Nam, D Lee, I Kim, YS Choi, Y Jung, ... npj Computational Materials 4 (1), 67, 2018 | 97 | 2018 |
| Purely spin‐vibronic coupling assisted triplet to singlet up‐conversion for real deep blue organic light‐emitting diodes with over 20% efficiency and y color coordinate of 0.05 VV Patil, HL Lee, I Kim, KH Lee, WJ Chung, J Kim, S Park, H Choi, ... Advanced Science 8 (20), 2101137, 2021 | 77 | 2021 |
| Spin–Vibronic Model for Quantitative Prediction of Reverse Intersystem Crossing Rate in Thermally Activated Delayed Fluorescence Systems I Kim, SO Jeon, D Jeong, H Choi, WJ Son, D Kim, YM Rhee, HS Lee Journal of Chemical Theory and Computation 16 (1), 621-632, 2019 | 59 | 2019 |
| Multiple‐Resonance Extension and Spin‐Vibronic‐Coupling‐Based Narrowband Blue Organic Fluorescence Emitters with Over 30% Quantum Efficiency HL Lee, SO Jeon, I Kim, SC Kim, J Lim, J Kim, S Park, J Chwae, WJ Son, ... Advanced Materials 34 (33), 2202464, 2022 | 52 | 2022 |
| Three states involving vibronic resonance is a key to enhancing reverse intersystem crossing dynamics of an organoboron-based ultrapure blue emitter I Kim, KH Cho, SO Jeon, WJ Son, D Kim, YM Rhee, I Jang, H Choi, ... Jacs Au 1 (7), 987-997, 2021 | 52 | 2021 |
| π–π Interaction energies in monosubstituted-benzene dimers in parallel-and antiparallel-displaced conformations JI Seo, I Kim, YS Lee Chemical Physics Letters 474 (1-3), 101-106, 2009 | 44 | 2009 |
| Evolutionary design of molecules based on deep learning and a genetic algorithm Y Kwon, S Kang, YS Choi, I Kim Scientific reports 11 (1), 17304, 2021 | 35 | 2021 |
| Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods I Kim, YC Park, H Kim, YS Lee Chemical Physics 395, 115-121, 2012 | 33 | 2012 |
| A study of nerve agent model organophosphonate binding with manganese-A2B-corrole and-A2B2-porphyrin systems K Kim, I Kim, N Maiti, SJ Kwon, D Bucella, OA Egorova, YS Lee, J Kwak, ... Polyhedron 28 (12), 2418-2430, 2009 | 25 | 2009 |
| Dipole moment‐and molecular orbital‐engineered phosphine oxide‐free host materials for efficient and stable blue thermally activated delayed fluorescence SG Ihn, D Jeong, ES Kwon, S Kim, YS Chung, M Sim, J Chwae, ... Advanced Science 9 (3), 2102141, 2022 | 23 | 2022 |
| Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and … I Kim, YS Lee The Journal of Chemical Physics 139 (13), 2013 | 22 | 2013 |
| Orbital optimization in the active space decomposition model I Kim, SM Parker, T Shiozaki Journal of chemical theory and computation 11 (8), 3636-3642, 2015 | 18 | 2015 |
| Effect of underdamped vibration on excitation energy transfer: Direct comparison between two different partitioning schemes CW Kim, WG Lee, I Kim, YM Rhee The Journal of Physical Chemistry A 123 (6), 1186-1197, 2019 | 17 | 2019 |
| Blue electrofluorescence resulting from exergonic harvesting of triplet excitons SY Yi, SG Ihn, M Sim, JS Kim, I Kim, YS Chung, DH Huh, S Kim, Y You Advanced Optical Materials 7 (18), 1900630, 2019 | 12 | 2019 |
| Predicting phosphorescence quantum yield for Pt (II)-based OLED emitters from correlation function approach I Kim, WJ Son, YS Choi, A Osipov, D Lee, H Lee, Y Jung, J Son, H Choi, ... The Journal of Physical Chemistry C 123 (17), 11140-11150, 2019 | 12 | 2019 |
| KPACK: Relativistic Two-component Ab Initio Electronic Structure Program Package I Kim, YS Lee Bull. Korean Chem. Soc 34 (1), 179, 2013 | 12 | 2013 |
| Designing stable deep‐blue thermally activated delayed fluorescence emitters through controlling the intrinsic stability of triplet excitons H Kang, SG Ihn, I Kim, YS Chung, SO Jeon, M Sim, J Kim, H Lee, Y Son, ... Advanced Optical Materials 10 (12), 2102309, 2022 | 10 | 2022 |
| Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit … I Kim, YS Lee The Journal of Chemical Physics 141 (16), 2014 | 10 | 2014 |
| Charge Recombination in Polaron Pairs: A Key Factor for Operational Stability of Blue‐Phosphorescent Light‐Emitting Devices A Odinokov, A Osipov, J Oh, YK Moon, SG Ihn, H Lee, I Kim, WJ Son, ... Advanced Theory and Simulations 3 (8), 2000028, 2020 | 9 | 2020 |
| A proton transfer network that generates deprotonated tyrosine is a key to producing reactive oxygen species in phototoxic KillerRed protein W Lee, I Kim, YM Rhee Physical Chemistry Chemical Physics 20 (34), 22342-22350, 2018 | 9 | 2018 |
