Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes. - Seung Kyu Min; Eun Cheol Lee; Han Myoung Lee; Dong Young Kim; Dongwook Kim; Kwang S. Kim (J. Comput. Chem., 2008)

PyUNIxMD: A Python-based excited state molecular dynamics package. - In Seong Lee; Jong-Kwon Ha; Daeho Han; Tae In Kim; Sung Wook Moon; Seung Kyu Min (J. Comput. Chem., 2021)

Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Intraction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach. - Sung Wook Moon; Soohaeng Yoo Willow; Tae Hyeon Park; Seung Kyu Min; Chang Woo Myung (CoRR, 2024)

Gaussian Process Regression-Based Near-Infrared d-Luciferin Analogue Design Using Mutation-Controlled Graph-Based Genetic Algorithm. - Sung Wook Moon; Seung Kyu Min (J. Chem. Inf. Model., 2024)