Applications of Monte Carlo Method in Science and Engineering 386 materials are given to completely specify the collision integral in the BTE. A discussion followed with the presentation of a generic flow-chart for implementing bulk Monte Carlo code is presented. Note that bulk Monte Carlo approach is suitable for the characterization of materials, but in order to study behavior of semiconductor devices coupling of the Monte Carlo transport kernel with a Poisson equation solver which gives the self-consistent field that moves the carriers around is needed. Important ingredients in describing particle-based device simulators are the particle-mesh coupling, treatment of the Ohmic contacts and calculation of the current. A generic flowchart of a particle-based device simulator is provided. The prospects of the Monte Carlo method for the solution of the Boltzmann transport equation, in the context of device simulations of nanoscale structures and of solar cells and power devices, are discussed at the end of the book chapter.2. Importance of MC particle-based device simulations 2.1 Industry trends and the need for modeling and simulation As semiconductor feature sizes shrink into the nanometer scale regime, even conventional device behavior becomes increasingly complicated as new physical phenomena at short dimensions occur, and limitations in material properties are reached [1]. In addition to the problems related to the understanding of actual operation of ultra-small devices, the reduced feature sizes require more complicated and time-consuming manufacturing processes. This fact signifies that a pure trial-and-error approach to device optimization will become impossible since it is both too time consuming and too expensive. Since computers are considerably cheaper resources, simulation is becoming an indispensable tool for the device engineer. Besides offering the possibility to test hypothetical devices which have not (or could not) yet been manufactured, simulation offers unique insight into device behavior by allowing the observation of phenomena that can not be measured on real devices. Computational Electronics [2,3,4] in this context refers to the physical simulation of semiconductor devices in terms of charge transport and the corresponding electrical behavior. It is related to, but usually separate from process simulation, which deals with various physical processes such as material growth, oxidation, impurity diffusion, etching, and metal deposition inherent in device fabrication [5] leading to integrated circuits. Device simulation can be thought of as one component of technology for computer-aided design (TCAD), which provides a basis for device modeling, which deals with compact behavioral models for devices and sub-circuits relevant for circuit simulation in commercial packages such as SPICE [6]. The relationship between various simulation design steps that have to be followed to achieve certain customer need is illustrated in Figure 1.