An information processing device includes one or more memories and one or more processors. The one or more processors are configured to input information regarding an atom of a substance to a first model; and obtain information regarding the substance from the first model. The first model is a model which includes: layers from an input layer up to a predetermined layer of a second model to which information regarding atoms is input and which outputs at least one of a value of an energy or a value of a force; and another layer, and which is trained to output the information regarding the substance.