PUBLICATIONS

"Machine Learning Prediction Models for Solid Electrolytes based on Lattice Dynamics Properties", J. Kim, D. Lee, D. Lee, X. Li, Y.-L. Lee, S. Kim†,  J. Phys. Chem. Lett. 15, 5914 (2024) selected as a supplementary cover [link]

"A study of machine-learning-derived formulas using artificially generated dataset", D. Lee, S. Kim†, J. Korean. Phys. Soc. 85 169 (2024) [link]

"An Ab Initio Study of the Origin of Structural Stability in P2-NaMnO2 with Li Doping at High Voltage", H. Kim, K. Kim, S. Kim†, J. Phys. Chem. Lett. 15 1347 (2024) [link]

“Machine learning of kesterite materials using cost-effective hybrid density functional theory”, D. Lee, S. Kim†, J-S. Park†, Curr. Appl. Phys. 59 214 (2024) [link]

“First-principles study on Small Polaron and Li diffusion in layered LiCoO2”, S. Ahn, J. Kim, B. Kim, S. Kim†, Phys. Chem. Chem. Phys. 25 27848 (2023) [link]

“Combinatorial discovery of irradiation damage tolerant nano-structured W-based alloys”, H. Jo, S. Park, D. You, S. Kim, D. Lee, J. Nucl. Mater. 572 154066 (2022) [link]

“Tunable Magnetism and Morphology of Ferromagnetic Nanocups in Perovskite Ferroelectric Films via Co Exsolution of Transition Metals”, H. An, J.-K. Kim, S.-G. Jung, S. Kim, K. Na, J. Yang, J. Song, T. Park, C. W. Bark, S. Kim, K.-T. Ko, B. Kim, and S. Lee, ACS Appl. Electron. Mater. 4, 4499 (2022) [link]

“Stability and electronic properties of layered NaMnO2 using the SCAN(+U)”, H. Jung, J. Kim†, S. Kim†, the Journal of the Korean Physical Society, 81, 965 (2022) [link]

“Phonon study of Jahn–Teller distortion and phase stability in NaMnO2 for sodium-ion Batteries”, H. Jung, J. Kim†, S. Kim†, Journal of Applied Physics 132, 055101 (2022) [link]

“Large-gap insulating dimer ground state in monolayer IrTe2” J. Hwang, K. Kim, C. Zhang, T. Zhu, C. Herbig, S. Kim, B. Kim, Y. Zhong, M. Salah, M. M. El-Desoky, C. Hwang, Z.-X. Shen, M. F. Crommie, S.-K. Mo, Nature Communications 13, 906 (2022) [link]

“Direct Observation of Orbital Driven Strong Interlayer Coupling in Puckered Two-Dimensional PdSe2” J. H. Ryu, J.-G. Kim, B. Kim, K. Kim, S. Kim, J.-H. Park, B.-G. Park, Y. Kim, K.-T. Ko, K. Lee, Small 18, 2106053 (2022) [link]

"Machine-Learning-Guided Prediction Models of Critical Temperature of Cuprates" D. Lee, D. You, D. Lee, X. Li, S. Kim†, the Journal of Physical Chemistry Letters, 12, 26, 6211 (2021) selected as a front cover [link]

"Superconductivity emerging from a stripe charge order in IrTe2 nanoflakes" S. Park, S. Y. Kim, H. K. Kim, M. J. Kim, T. Kim, H. Kim, G. S. Choi, C. J. Won, S. Kim, K. Kim, E. F. Talantsev, K. Watanabe, T. Taniguchi, S.-W. Cheong, B. J. Kim, H. W. Yeom, J. Kim, T.-H. Kim & J. S. Kim, Nature Communications 12, 3157 (2021) [link]  

“Quantification of Coulomb interactions in layered lithium and sodium battery cathode materials” B. Kim, K. Kim, S. Kim†, Physical Review Materials 5, 035404 (2021) [link]

“Lattice and Electronic properties of VO2 with the SCAN(+U) approach” S. Kim†, the Journal of the Korean Physical Society 78, 613 (2021) [link]

“Quenchable amorphous glass-like material from VF3” R. Sereika, S. Kim, T. Nakagawa, H. Ishii, Y. Ding, and H.-k. Mao, Dalton Transactions 50, 3005 (2021) [link]

"Unusual pressure-induced quantum phase transition from superconducting to charge-density wave state in rare-earth-based Heusler LuPd 2In compound" H. Kim, J. H. Shim, S. Kim, J.-H. Park, K. Kim, B. I. Min, Physical Review Letters, 125, 157001 (2020) [link]

"Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3" R. Sereika, P. Liu, B. Kim, S. Kim, J. Zhang, B. Chen, K. Yamaura, C. Park, C. Franchini, Y. Ding, H.-k. Mao, npj Quantum Materials, 5, 66 (2020) [link]

“Enhancing the critical temperature of strained Niobium film”  J. Choi, Y.-K. Kim, C.-D. Kim, S. Kim†, Y. Jo†, Mater. Res. Express 7, 076001 (2020)  [link]

"Machine Learning-based Prediction Models for Formation Energies of Interstitial Atoms in HCP Crystals" D. You, S. Ganorkar, S. Kim, K. Kang, W.-Y. Shin, D. Lee, Scripta Materialia, 183, 1 (2020) [link]

" A study of Cu doping effects in P2-Na0.75Mn0.6Fe0.2(CuxNi0.2-x)O2 layered cathodes for Na-ion batteries" Y. Wang*, S. Kim*, J. Lu, G. Feng, Xin Li, Batteries & Supercaps, 3, 376 (2020) [link] ChemistryViews

"Pressure-induced phase transitions and superconductivity in magnesium carbides" S. Kim, K. Kim, J. Koo, H. Lee, B. I. Min, D. Y. Kim, Scientific Reports 9, 20253 (2019) [link]

“Role of Coulomb Correlations in the Charge Density Wave of CuTe” S. Kim, B. Kim, K. Kim, Physical Review B 100, 054112 (2019) [link]

“Charge Density Wave Transition in Monolayer CuTe driven by Coulomb Correlation” S. Kim, B. Kim, K. Kim, Journal of the Korean Physical Society 75, 394 (2019) [link]

“Ab initio study of H, B, C, N, O, and self-interstitial atoms in hcp-Zr” D. You, S. Ganorkar, M. Joo, D. Park, S. Kim, K. Kang, D. Lee, Journal of Alloys and Compounds, 787, 631 (2019) [link]

“Apical Charge Flux-modulated In-plane Transport Properties in Cuprate Superconductors”  S. Kim, X. Chen, W. Fitzhugh, and X. Li, Physical Review Letters 121, 157001 (2018) [link]     News at Harvard SEAS Reply to Comment

“The Interaction between Cu and Fe in P2-Type NaxTMO2 Cathodes for Advanced Battery Performance” Y. Zhang*, S. Kim*, G. Feng, Y. Wang, L. Liu, G. Ceder, and X. Li, Journal of the Electrochemical Society 165, A1184 (2018) [link]  

“Reversible flat to rippling phase transition in Fe containing layered battery electrode materials” X. Chen, S. Hwang, R. Chisnell, Y. Wang, F. Wu, S. Kim, J. W. Lynn, D. Su, and X. Li, Advanced Functional Materials, 28, 1803896 (2018) [link] 

“Emergence of Kondo resonance in graphene intercalated with cerium” J. Hwang, K. Kim, H. Ryu, J. Kim, J.-E. Lee, S. Kim, A. Lanzara, J. Chung, S.-K. Mo, J. Denlinger, B. I. Min, C. Hwang, Nano Letters, 18, 3661, (2018) [link]

“Importance of the van Hove singularity in superconducting PdTe” K. Kim, S. Kim, J. S. Kim, H. Kim, J.-H. Park, and B. I. Min, Phys. Rev. B 97, 165102 (2018) [link]