ABSTRACT
“The method of Monte Carlo integrations over configuration space seems to be a feasible approach to statistical mechanical problems which are as yet not analytically soluble.” The technique generates a sample of molecular configurations representative of the molecular group, obtains a molecular analog to an opinion, and averages the configurations’ properties to determine thermodynamic properties and collective responses. Although seemingly counter-intuitive, using random numbers or repeating a random set of actions can illuminate a well-defined, deterministic property or process. To improve accuracy, the interval may be split into smaller intervals, and Simpson’s rule is applied to each interval. Metropolis and co-workers developed The Monte Carlo method towards the end of World War II. The development of the method was undoubtedly promoted by the emergence of high-performance computers, such as the MANIAC supercomputer of Los Alamos in the early 1950s, and the development of random number generators, as put forward by the RAND corporation in the mid-1940s and after.
