Studies in Molecular Dynamics. I. General Method

A method is outlined by which it is possible to calculate exactly the behavior of several hundred interacting classical particles. The study of this many-body problem is carried out by an electronic computer which solves numerically the simultaneous equations of motion. The limitations of this numerical scheme are enumerated and the important steps in making the program efficient on the computers are indicated. The applicability of this method to the solution of many problems in both equilibrium and nonequilibrium statistical mechanics is discussed.