| Machine Learning for Predicting the Band Gaps of ABX3 Perovskites from Elemental Properties V Gladkikh, DY Kim, A Hajibabaei, A Jana, CW Myung, KS Kim The Journal of Physical Chemistry C 124 (16), 8905-8918, 2020 | 115 | 2020 |
| Machine learning assisted high-throughput screening of transition metal single atom based superb hydrogen evolution electrocatalysts M Umer, S Umer, M Zafari, M Ha, R Anand, A Hajibabaei, A Abbas, G Lee, ... Journal of Materials Chemistry A 10 (12), 6679-6689, 2022 | 78 | 2022 |
| Graphene and graphene analogs toward optical, electronic, spintronic, green-chemical, energy-material, sensing, and medical applications MR Rezapour, CW Myung, J Yun, A Ghassami, N Li, SU Yu, A Hajibabaei, ... ACS applied materials & interfaces 9 (29), 24393-24406, 2017 | 61 | 2017 |
| Sparse Gaussian process potentials: Application to lithium diffusivity in superionic conducting solid electrolytes A Hajibabaei, CW Myung, KS Kim Physical Review B 103 (21), 214102, 2021 | 53 | 2021 |
| Universal machine learning interatomic potentials: surveying solid electrolytes A Hajibabaei, KS Kim The Journal of Physical Chemistry Letters 12 (33), 8115-8120, 2021 | 52 | 2021 |
| Al‐doping driven suppression of capacity and voltage fadings in 4d‐element containing Li‐ion‐battery cathode materials: machine learning and density functional theory M Ha, A Hajibabaei, DY Kim, AN Singh, J Yun, CW Myung, KS Kim Advanced Energy Materials 12 (30), 2201497, 2022 | 42 | 2022 |
| Unleashing the Potential of Sodium‐Ion Batteries: Current State and Future Directions for Sustainable Energy Storage AN Singh, M Islam, A Meena, M Faizan, D Han, C Bathula, A Hajibabaei, ... Advanced Functional Materials 33 (46), 2304617, 2023 | 28 | 2023 |
| Machine learning of first-principles force-fields for alkane and polyene hydrocarbons A Hajibabaei, M Ha, S Pourasad, J Kim, KS Kim The Journal of Physical Chemistry A 125 (42), 9414-9420, 2021 | 26 | 2021 |
| First-order and continuous melting transitions in two-dimensional Lennard-Jones systems and repulsive disks A Hajibabaei, KS Kim Physical Review E 99 (2), 022145, 2019 | 26 | 2019 |
| Challenges, opportunities, and prospects in metal halide perovskites from theoretical and machine learning perspectives CW Myung, A Hajibabaei, JH Cha, M Ha, J Kim, KS Kim Advanced Energy Materials 12 (45), 2202279, 2022 | 24 | 2022 |
| Sparse Gaussian process regression-based machine learned first-principles force-fields for saturated, olefinic, and aromatic hydrocarbons M Ha, A Hajibabaei, S Pourasad, KS Kim ACS Physical Chemistry Au 2 (3), 260-264, 2022 | 9 | 2022 |
| Highly Efficient Pure‐Blue Perovskite Light‐Emitting Diode Leveraging CsPbBrxCl3− x/Cs4PbBrxCl6− x Nanocomposite Emissive Layer with Shallow Valence Band IY Choi, SD Baek, AV Takaloo, SY Lee, A Hajibabaei, KS Kim, ... Advanced Optical Materials, 2102502, 2022 | 8 | 2022 |
| Reduced Potential Barrier of Sodium-Substituted Disordered Rocksalt Cathode for Oxygen Evolution Electrocatalysts AN Singh, A Hajibabaei, M Ha, A Meena, HS Kim, C Bathula, KW Nam Nanomaterials 13 (1), 10, 2022 | 7 | 2022 |
| Two liquid–liquid phase transitions in confined water nanofilms S Pourasad, A Hajibabaei, CW Myung, KS Kim The Journal of Physical Chemistry Letters 12 (20), 4786-4792, 2021 | 6 | 2021 |
| Remarkably Enhanced Lattice Oxygen Participation in Perovskites to Boost Oxygen Evolution Reaction AN Singh, A Hajibabaei, MH Diorizky, Q Ba, KW Nam Nanomaterials 13 (5), 905, 2023 | 4 | 2023 |
| Supra‐Binary Polarization in a Ferroelectric Nanowire W Xu, L Wang, DCM Yang, A Hajibabaei, Y Lee, C Park, TW Lee, KS Kim Advanced Materials 33 (26), 2101981, 2021 | 4 | 2021 |
| Anisotropic and amphoteric characteristics of diverse carbenes DY Kim, DCM Yang, JML Madridejos, A Hajibabaei, C Baig, KS Kim Physical Chemistry Chemical Physics 20 (20), 13722-13733, 2018 | 4 | 2018 |
| Fast atomic structure optimization with on-the-fly sparse Gaussian process potentials A Hajibabaei, M Umer, R Anand, M Ha, KS Kim Journal of Physics: Condensed Matter 34 (34), 344007, 2022 | 3 | 2022 |
| A sparse bayesian committee machine potential for hydrocarbons SY Willow, GS Kim, M Ha, A Hajibabaei, CW Myung arXiv preprint arXiv:2402.14497, 2024 | 2 | 2024 |
| Towards Universal Sparse Gaussian Process Potentials: Application to Lithium Diffusivity in Superionic Conducting Solid Electrolytes A Hajibabaei, CW Myung, KS Kim arXiv preprint arXiv:2009.13179, 2020 | 2 | 2020 |
Kwang S. KimChemistry, Ulsan National Institute of Science and Technology (UNIST)Verified email at unist.ac.kr
