In the contemporary era of technological advancements, solar energy emerges as a promising and easily implementable solution to meet future energy demands sustainably. This chapter delves into recent innovative techniques and simulation software pertaining to this environmentally friendly technology, focusing on device simulation, novel structures, and cutting-edge methods. A comparative analysis among major solar cell modeling simulators, such as PC1D, SCAPS-1D, wxAMPS-1D, AMPS-1D, ASA, Gpvdm, SETFOS, PECSIM, ASPIN, ADEPT, AFORS-HET, TCAD, and SILVACO ALTAS, is presented. These simulators not only aid in analyzing fabricated cells but also predict the impact of device modifications. The current year has witnessed significant efforts in developing sustainable energy systems through innovative solar cell simulators and semiconductor models. A concise evaluation of well-established solar cell simulators is provided to identify the most reliable tool for assessing photovoltaic technology performance. The chapter offers a user-friendly linear operating procedure and a congenial dialog box for multi-junction solar cells, providing valuable benefits for scientists, researchers, and skilled programmers in the photovoltaic community. This solar simulation software plays a crucial role in designing environment-friendly solar energy systems and calculating potential solar PV system outcomes for various projects, both grid-tied and off-grid, continually improving the solar energy technology landscape.