Patent ID: 8706423
Filing Date: 2014-04-22
Classification: B82Y,G06N,G16B,G16C

Abstract:
1. An apparatus comprising: one or more processors configured to: obtain an objective function that is subject to constraints and a number of possible solutions to the objective function; assign molecular structures and chemical reaction parameters to a plurality of reactant molecules, wherein the molecular structures comprise a kinetic energy value, a potential energy value, an atomic position, and an orientation; model a plurality of reactions involving one or more of the molecular structures, wherein the plurality of reactions comprise at least one of an on-wall ineffective collision, a decomposition, an inter-molecular ineffective collision, and a synthesis, wherein to select each reaction in the plurality of reactions one or more processors configured to: determine, after each of the plurality of reactions, an energy value of the molecular structures based upon the potential energy values and kinetic energy values of the molecular structures; store the molecular structures when the energy value is less than a previously stored energy value; determine a stopping criteria is met; and determine the solution for the objective function as the stored molecular structures that has the lowest energy value that corresponds to the global minimum.