The invention discloses a simulation method for predicating electrochemical performance of a lithium-ion battery material. The method comprises the following steps: 1, acquiring property parameters; 2, building a physical model; 3, building a mathematic model; 4, performing simulating calculating, and finally predicating the charge-discharge curve, charge-discharge, concentration distribution of internal lithium ions, and other performances of the battery. The method has the characteristics of being short in testing cycle, high in accuracy, and good in reliability.