In this study, biodegradation resistance and crystallization of Poly-lactic acid (PLA) stereo-complex-carbon nanotube (CNT) nanocomposite are predicted by Molecular dynamics simulations. Due to the chiral nature of lactic acid, two distinct forms of Poly L-lactic acid (PLLA) and Poly D-lactic acid (PDLA) are constructed as the matrix of the nanocomposite. To examine the degradation resistance of the stereo-complex, the potential energy is compared before and after the chain scission of one of PLA chain according to the ratio of PLLA and PDLA. The self assembly and crystallization of PLA onto a pristine CNT is studied by ensemble simulations. As a result, the stereo-complex of 5:5 ratio of PLLA and PDLA showed the highest resistance to the hydrolysis.