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Showing results 1 to 20 of 31

1 Article Active Learning‐Driven Discovery of Sub‐2 Nm High‐Entropy Nanocatalysts for Alkaline Water Splitting Perumal, Sakthivel ; Han, Da Bean ; Marimuthu, Thandapani ; et al 2025-07
2 Article Carbon-efficient reaction optimization of nonoxidative direct methane conversion based on the integrated reactor system Lee, Sung Woo ; Gebreyohannes, Tsegay Gebrekidan ; Shin, Jung Ho ; et al 2024-02
3 Article Contrastive representation learning of inorganic materials to overcome lack of training datasets Na, Gyoung S. ; Kim, Hyun Woo 2022-06
4 Article Data-Driven Development of Heterogeneous Catalysts for Propane Dehydrogenation with Machine Learning and Metaheuristic Optimization Oh, Jungmok ; Lee, Junho ; Park, Jisu ; et al 2024-10
5 Article Data-driven framework based on machine learning and optimization algorithms to predict oxide-zeolite-based composite and reaction conditions for syngas-to-olefin conversion Abdullaev, Mansurbek Urol ugli ; Jeon, Woosong ; Kang, Yun ; et al 2025-07
6 Thesis Development of Catalysts and Machine Learning Applications for Direct Conversion of CO2 to Hydrocarbons Yun Kang 2025
7 Thesis Development of Data-driven Atomic Features as Basis Sets for Molecular Machine Learning Dabean Han 2024
8 Article Electronegativity-Inspired Multidimensional and ComplexRepresentations for Modeling Chemical Environments in Materials An, Youngjin ; Jeon, Soyeon ; Han, Da Bean ; et al 2026-08
9 Article Enabling Synthetically Feasible Molecular Editing in Drug Discovery via Reaction-Regulated Graph-Based Genetic Algorithms Moon, Sung Wook ; Ahn, Se Hwan ; Ahn, Jin Hee ; et al 2026-04
10 Thesis Evaluating Classical and Quantum Graph Convolutional Architectures for Molecular Property Prediction Nam Jongdeok 2026
11 Thesis Examining the effects of the aggregation function and alternative eco-friendly refrigerants using graph-based molecular machine learning Sanghoon Lee 2025
12 Article Exploring Huckel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms Han, Da Bean ; Hu, Kang-Min ; Lim, Hyang-Tag ; et al 2026-02
13 Article Exploring Nontoxic Green Refrigerants Using Positive-Unlabeled Learning and High-Fidelity Search Lee, Sanghoon ; Lee, Hyeok Jae ; Na, Gyoung S. ; et al 2026-01
14 Article Investigation of Interface Characteristics and Physisorption Mechanism in Quantum Dots/TiO2 Composite for Efficient and Sustainable Photoinduced Interfacial Electron Transfer Chon, Bumsoo ; Lee, Hyung Joo ; Kang, Yun ; et al 2024-02
15 Article Learning Multidimensional Electronegativity of Selected Atom Types in Organic Molecules Using Graph Neural Networks Han, Da Bean ; Na, Gyoung S. ; Kim, Hyun Woo 2025-10
16 Article Ligand-Shell Cooperativity in a Bilayer Silica-Sandwiched Mixed-Metals Nanocatalyst Design for Absolute Selectivity Switch Jeevanandham, Sampathkumar ; Maji, Ankur ; Acharya, Anubhab ; et al 2025-01
17 Article Metaheuristics-guided active learning for optimizing reaction conditions of high-performance methane conversion Na, Gyoung S. ; Kim, Hyun Woo 2024-10
18 Article Methane direct conversion to olefins, aromatics, and hydrogen over silica entrapped bimetallic MeFe-SiO2 (Me = Co, Ni, Pd, Pt) catalysts Han, S.J. ; Gebreyohannes, T.G. ; Woo, lee S. ; et al 2023-01
19 Article pH-Responsive assembly of metal nanoparticles and fluorescent dyes by diblock copolymer micelles Kim, Hyun Woo ; Kim, Jang Whan ; Jo, Seong Ho ; et al 2015-06
20 Article Plasmon-Exciton Strong Coupling in Colloidal Au Nanocubes with Layered Molecular J-Aggregates Lee, Yoon-Min ; Choi, Hyewon ; Kim, Seong-Eun ; et al 2024-11

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