Patent Document ID: 8452576
Application ID: 12508716
Patent Flag: 1

Claim One:
1. A computer-implemented method of simulating behaviour of a thermodynamic system under influence of a force field over time, comprising: initially accepting input of simulation conditions and simulation parameters, the simulation conditions including at least one of volume, mass, temperature, pressure, number of particles, and total energy, and the simulation parameters including at least one of a time step in conservative dynamics, a number of conservative dynamics iterations, a starting position and a starting momentum for a first operation in the method, and force field parameters; executing, by a computer, a momentum refreshment process and a conservative dynamics process, the momentum refreshment process including: defining a refreshed momentum by partially refreshing a momentum in accordance with the starting position and the starting momentum of a model; using the starting momentum or the refreshed momentum as a resulting momentum and using the starting position as a resulting position; and outputting the results in a form of a radial distribution function.