A quantum circuit generation method includes determining a reference state of a target molecule and N excitations states corresponding to the reference state, where N is a positive integer greater than or equal to 1; determining M excitations states from the N excitations states based on an attribute of the reference state and attributes of the N excitations states, where M is a positive integer greater than or equal to 1 and less than or equal to N; and generating a first quantum circuit based on the M excitations states such as to improve computation efficiency and to reduce resource consumption.