The invention discloses a method for constructing a neural network force field model based on a global optimization algorithm, and relates to the technical field of deep learning, and the method comprises the following steps: S1, collecting effective material simulation data according to a research target, carrying out the single-point calibration, classification and screening, and storing the data in a database; s2, according to a research target, selecting energy/energy and force from a database as an evaluation function of a neural network, and training to obtain a neural network model; s3, based on the neural network model obtained through training, performing data sampling through a genetic algorithm, and search of a global space is achieved; s4, performing validity evaluation on the sampling data, automatically submitting the valid sampling data to a supercomputing server for first principle calculation calibration, and merging the valid sampling data into a database to complete a round of iteration process; and S5, repeating the steps S1 to S4 to obtain the neural network force field model adaptive to the research task. According to the invention, automatic construction of the neural network force field model can be realized.