SurfKin: An ab initio kinetic code for modeling surface reactions. - Thong Nguyen-Minh Le; Bin Liu; Lam Kim Huynh (J. Comput. Chem., 2014)

Density functional theory study on mechanisms of epoxy-phenol curing reaction. - My-Phuong Pham; Buu Q. Pham; Lam Kim Huynh; Ha Q. Pham; Maurice J. Marks; Thanh N. Truong (J. Comput. Chem., 2014)

Linear support vector machine to classify the vibrational modes for complex chemical systems. - Triet Huynh Minh Le; Tung Thanh Tran; Lam Kim Huynh (ICMLSC, 2018)

mHDFS-HoF: A generalized multilevel homodesmotic fragment-separation reaction based program for heat-of-formation calculation for acyclic hydrocarbons. - Hieu Thanh Nguyen; Tam Van-Thanh Mai; Lam Kim Huynh (J. Comput. Chem., 2019)

On The Radical Scavenging and DNA Repairing Activities by Natural Oxygenated Diterpenoids: Theoretical Insights. - Thi Chinh Ngo; Duy Quang Dao; Tam Van-Thanh Mai; Thi Le Anh Nguyen; Lam Kim Huynh (J. Chem. Inf. Model., 2022)