Google scholar: Sungwoo Kang - Google Scholar
2025
S. Kim†, G. Jeon†, S. Hwang, J. Lee, J. Jung, S. Han, and S. Kang*
Are diffusion models ready for materials discovery in unexplored chemical space?
Submitted [Preprint]
S. Hwang, J. Lee, S. Han, Y. Kang*, and S. Kang*
Discovery of oxide Li-conducting electrolytes in uncharted chemical space via topology-constrained crystal structure prediction
Submitted [Preprint]
B. C. Yeo, S. Kang*, and J.-H. Lee*
Diffusion−model−driven discovery of ferroelectrics for photocurrent applications
Submitted [Preprint]
J. K. Kim†*, S. K. Kuk†, S. Kang†, J.-M. Lee, and H. J. Kwon*
Precise tailoring of the size distribution of ex-solution nanoparticles to optimize catalytic active sites via B-site modulation of perovskite oxides
Submitted
S. Kang*
Coarse-grained graph architectures for all-atom force predictions
Submitted [Preprint]
J. Kim†, J. Lee†, S. Oh, Y. Park, S. Hwang, S. Han, S. Kang*, and Y. Kang*
An efficient forgetting-aware fine-tuning framework for pretrained universal machine-learning interatomic potentials
npj Computational Materials, accepted [Preprint]
2024
S. Kang*
How graph neural network interatomic potentials extrapolate: Role of the message-passing algorithm
Journal of Chemical Physics, 161, 244102 (2024) [Link]
*Special Collection: Molecular Dynamics, Methods and Applications 60 Years after Rahman
Before KIST
Samsung Advanced Institute of Technology ('22.3~'24.1)
S. Kang, R. Cai, D. S. Yang, D. J. Ham, M. Kulmala, J. H. Seinfeld, J. Jiang*, and H. C. Lee*
Efficient configuration sampling for hybrid functional DFT calculations to train machine-learning potentials: application to atmospheric chemistry
Small Methods, accepted [Link]
S. Kang*, J. K. Kim, H. Kim, Y.-H. Son, J. Chang, J. Kim, D.-W. Kim, J.-M. Lee*, and H. J. Kwon*
Local structures of ex-solved nanoparticles identified by machine-learned potentials
Nano Letters, 24, 4224 (2024) [Link]
S. K. Kuk†, S. M. Ji†, S. Kang, D. S. Yang, H. J. Kwon, M. S. Koo, S. Oh, and H. C. Lee*
Singlet-oxygen-driven photocatalytic degradation of gaseous formaldehyde and its mechanistic study
Applied Catalysis B: Environmental, 328, 122463 (2023) [Link]
Seoul National University ('16.3~'22.2)
J. Jung†, S. Ju†, P. Kim, D. Hong, W. Jeong, J. Lee, S Han*, and S. Kang*
Electrochemical degradation of Pt3Co nanoparticles investigated by off-lattice kinetic Monte Carlo simulations with machine-learned potentials
ACS Catalysis, 13, 16078 (2023) [Link]
S. Hwang, J. Jung, C. Hong, W. Jeong, S. Kang*, and S. Han*
Stability and equilibrium structures of unknown ternary metal oxides explored by machine-learned potentials
Journal of the American Chemical Society, 145, 19378 (2023) [Link]
*Supplementary cover: [Link]
S. Kang†, W. Jeong†, C. Hong, S. Hwang, Y. Yoon, and S. Han*
Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials
npj Computational Materials, 8, 108 (2022) [Link]
S. Kang, S. Han, and Y. Kang*
First-principles calculations of luminescence spectra of real-scale quantum dots
ACS Materials Au, 2, 103 (2022) [Link]
*Supplementary cover: [Link]
J. Jung, S. Kang, L. Nicolaï, J. Hong, J. Minár, I. Song, W. Kyung, S. Cho, B. Kim, J. D. Denlinger, F. J. C. S. Aires, E. Ehret, P. Ross, J. Shim, S. Nemšák, D. Noh, S. Han, C. Kim*, and B. S. Mun*
Understanding the role of electronic effects in CO on the Pt–Sn alloy surface via band structure measurements
ACS Catalysis, 12, 219 (2022) [Link]
S. Choi†, C. Kim†, J. Y. Lee†, T. H. Lee, K. C. Kwon, S. Kang, S. A Lee, K. S. Choi, J. M. Suh, K. Hong, S. E. Jun, W. K. Kim, S. H. Ahn, S. Han, S. Y. Kim*, C.-H. Lee*, and H. W. Jang*
Vertically aligned MoS2 thin film catalysts with Fe-Ni sulfide nanoparticles by one-step sulfurization for efficient solar water reduction
Chemical Engineering Journal, 418, 129369 (2021) [Link]
Y. Kang*, S. Kang, and S. Han
Identification of active sites for CO2 reduction on graphene-supported single-atom catalysts
ChemSusChem, 14, 2475 (2021) [Link]
S. Lee, D. Hong, J.-Y. Kim, D.-H. Nam, S. Kang, S. Han, Y.-C. Joo*, and G.-D. Lee*
Density functional theory study of edge-induced atomic scale structural phase transitions of MoS2 nanocrystals: implications for a high-performance catalyst
ACS Applied Nano Materials, 4, 5496 (2021) [Link]
S. Park†, Y.-H. Kim†, S. Kang, D. Lim, J. Park, D. Jang, S. Choi, J. Kim, S. Han, T.-W. Lee*, and S. Park*
Production of C, N alternating two-dimensional materials using covalent modification and their electroluminescence performance
Small Science, 1, 2000042 (2021) [Link]
C. Hong†, J. M. Choi†, W. Jeong†, S. Kang†, S. Ju, K. Lee, J. Jung, Y. Youn, and S. Han*
Training machine-learning potential for crystal structure prediction using disordered structures
Physical Review B, 102, 224104 (2020) [Link]
S. Kang, S. Ju, S. Han, and Y. Kang*
Computational identification of transition-metal dichalcogenides for electrochemical CO2 reduction to highly reduced species beyond CO and HCOOH
Journal of Physical Chemistry C, 124, 25812 (2020) [Link]
I. S. Kwon†, I. H. Kwak†, S. Ju†, S. Kang, S. Han, Y. C. Park, J. Park, and J. Park*
Adatom doping of transition metals in ReSe2 nanosheets for enhanced electrocatalytic hydrogen evolution reaction
ACS Nano, 14, 12184 (2020) [Link]
S. Kang, Y. Kim, E. Jang*, Y. Kang*, and S. Han*
Fundamental limit of the emission linewidths of quantum dots: an ab initio study of CdSe nanocrystals
ACS Applied Materials & Interfaces, 12, 22012 (2020) [Link]
D.-H. Nam†, J.-Y. Kim†, S. Kang†, W. Joo, S.-Y. Lee, H. Seo, H. G. Kim, I.-K. Ahn, G.-B. Lee, M. Choi, E. Cho, M.-Y. Kim, K. T. Nam, S. Han, and Y.-C. Joo*
Anion extraction-induced polymorph control of transition metal dichalcogenides
Nano Letters, 19, 8644 (2019) [Link]
J. Y. Lee, S. Kang, D. Lee, S. Choi, S. Yang, K. Kim, Y. S. Kim, K. C. Kwon, S. H. Choi, S. M. Kim, J. Kim, J. Park, H. Park, W. Huh, H. S. Kang, S. W. Lee, H.-G. Park, M. J. Ko, H. Cheng, S. Han*, H. W. Jang*, and C.-H. Lee*
Boosting the photocatalytic hydrogen evolution performance via an atomically thin 2D heterojunction visualized by scanning photoelectrochemical microscopy
Nano Energy, 65, 104053 (2019) [Link]
Y. Kang*, S. Kang, and S. Han*
Influence of Bi doping on physical properties of lead halide perovskites: a comparative first-principles study between CsPbI3 and CsPbBr3
Materials Today Advances, 3, 100019 (2019) [Link]
Y. Kim†, K. C. Kwon†, S. Kang†, C. Kim, T. H. Kim, S.-P. Hong, S. Y. Park, J. M. Suh, M.-J. Choi, S. Han*, and H. W. Jang*
Two-dimensional NbS2 gas sensors for selective and reversible NO2 detection at room temperature
ACS Sensors, 4, 2395 (2019) [Link]
S. Kang, S. Han, and Y. Kang*
Unveiling electrochemical reaction pathways of CO2 reduction to CN species at S-vacancies of MoS2
ChemSusChem, 12, 2671 (2019) [Link]
K. Y. Kim†, J. Lee†, S. Kang, Y.‐W. Son, H. W. Jang, Y. Kang*, and S. Han*
Role of hyper-reduced states in hydrogen evolution reaction at sulfur vacancy in MoS2
ACS Catalysis, 8, 4508 (2018) [Link]
J. Lee†, S. Kang†, K. Yim, K. Y. Kim, H. W. Jang, Y. Kang*, and S. Han*
Hydrogen evolution reaction at anion vacancy of two-dimensional transition metal dichalcogenides: ab initio computational screening
Journal of Physical Chemistry Letters, 9, 2049 (2018) [Link]
D. M. Andoshe, G. Jin, C.-S. Lee, K. C. Kwon, S. Choi, W. Sohn, C. W. Moon, S. H. Lee, J. M. Suh, S. Kang, J. Park, H. Heo, J. K. Kim, S. Han, M. Jo*, and H. W. Jang*
Directly assembled 3D molybdenum disulfide on silicon wafer for efficient photoelectrochemical water reduction
Advanced Sustainable Systems, 2, 1700142 (2018) [Link]