The field of microelectronics plays an important role in many areas of engineering and science, being ubiquitous in aerospace, industrial manufacturing, biotechnology, and many other fields. Today, many micro- and nanoscale electronic devices are integrated into one package. e capacity to simulate new devices accurately is critical to the engineering design process, as device engineers use simulations to predict performance characteristics and identify potential issues before fabrication. A problem of particular interest is the simulation of devices which exhibit exotic behaviors due to non-equilibrium thermodynamics and thermal effects such as self-heating. Frequently, it is desirable to predict the level of heat generation, the maximum temperature and its location, and the impact of these thermal effects on the current-voltage (IV) characteristic of a device. is problem is furthermore complicated by nanoscale device dimensions. As the ratio of surface area to volume increases, boundary effects tend to dominate the transfer of energy through a device. Effects such as quantum confinement begin to play a role for nanoscale devices as geometric feature sizes approach the wavelength of the particles involved. Classical approaches to charge transport and heat transfer simulation such as the drift-diffusion approach and Fourier’s law, respectively, do not provide accurate results at these length scales. Instead, the transport processes are governed by the semi-classical Boltzmann transport equation (BTE) with quantum corrections derived from the Schrodinger equation ̈ (SE). In this work, a technique is presented for coupling a 3D phonon Monte Carlo (MC) simulation to an electron multi-subband Monte Carlo (MSBMC) simulation. Both carrier species are first examined separately. An electron MC simulation of bulk silicon, a silicon n-i-n diode, and an intrinsic-channel fin-field effect transistor (FinFET) structure are also presented. A 3D phonon MC algorithm is demonstrated in bulk silicon, a silicon thin film, and a silicon nanoconstriction. These tests verify the correctness of the MC framework. Finally, a novel carrier scattering system which directly accounts for the interaction be- tween the two particle populations inside a nanoscale device is shown. e tool developed supports quantum size effects and is shown to be capable of modeling the exchange of energy between thermal and electronic particle systems in a silicon FinFET
