Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model. - Hyun Woo Kim 004; Young Min Rhee (J. Comput. Chem., 2012)

Scale-Aware Graph-Based Machine Learning for Accurate Molecular Property Prediction. - Gyoung S. Na; Hyun Woo Kim 004; Hyunju Chang (IEEE BigData, 2020)

Costless Performance Improvement in Machine Learning for Graph-Based Molecular Analysis. - Gyoung S. Na; Hyun Woo Kim 004; Hyunju Chang (J. Chem. Inf. Model., 2020)

Reverse graph self-attention for target-directed atomic importance estimation. - Gyoung S. Na; Hyun Woo Kim 004 (Neural Networks, 2021)

Metaheuristics-guided active learning for optimizing reaction conditions of high-performance methane conversion. - Gyoung S. Na; Hyun Woo Kim 004 (Appl. Soft Comput., 2024)