We are investigating different micro- and nano-structure approaches to neutron detection based on inorganic scintillators. Specifically, we have been assessing various neutron converter-scintillator configurations through simulations and experiments. One promising inorganic scintillator is ZnO due to its relatively high light yield[1], reasonable optical transparency in the visible region[2], and relatively low refractive index[3] compared to other Zn-based crystals such as ZnS[4]. Accurate optical data and rigid simulation tools are necessary to optimize the dimensions of the neutron converter/scintillator systems. Accurate optical data are necessary since the optical parameters of a material depend on a variety of factors, including but not limited to its morphology, crystal structure, surface quality (surface roughness), as well as the temperature at which it was manufactured. Therefore, literature data show significant discrepancy when it comes to the optical parameters for the material and it is important to accurately measure these quantities for the specific sample of interest. Neutron detection is a complex process that includes neutron transport, charged particle transport, and light transport in the active detection medium. Hence, a rigid simulation tool is required to handle all these different areas of physics with sufficient accuracy. In this work, Geant4 has been chosen to carry out the simulations of these processes. Geant4 (GEometry ANd Tracking) is a toolkit used in various applications including high energy physics, astrophysics, and radiation detection[5]. The optical simulation capabilities of Geant4 have been validated by comparing the transmission and reflection data from UV-Vis spectroscopy to the Geant4 models for different Zn-based crystals. After validating the optical response of single crystals, simulation models were constructed to model more complex structures of ZnS-based alpha detection sheets (EJ-440) from Eljen Technology. Optical parameters validated with experimental results have been used in radiation simulation in Geant4. This study will serve as a basis for our ongoing effort to optimize and manufacture an efficient and compact fast neutron detection module with microand nano-structures.