Dynamical study of metallic clusters using the statistical method of time series clustering. - San Kiong Lai; Yu-Ting Lin; P. J. Hsu; Siew Ann Cheong (Comput. Phys. Commun., 2011)

Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory. - Tsung-Wen Yen; Thong Leng Lim; Tiem Leong Yoon; San Kiong Lai (Comput. Phys. Commun., 2017)

An efficient optimization algorithm that hybridizes DFTB and DFT theories both operated within the modified basin hopping method. - San Kiong Lai; Wafa Maftuhin (Comput. Phys. Commun., 2019)

Neutral gold clusters studied by the isothermal Brownian-type molecular dynamics and metadynamics molecular dynamics simulations. - San Kiong Lai; Chong Chiat Lim (J. Comput. Chem., 2021)