Silicon has always been of interest to researchers from various fields, especially the semiconductor industry. Silicon and silicon-based materials are frequently used in integrated circuits and micro/nano-electro-mechanical systems. Interfacial phenomena between phases is important for these applications. In this study, surface wetting and heat transfer at the solid/liquid interfacial region were investigated using the Molecular Dynamics method. The control of wetting was examined by changing silicon structure at single crystal and amorphous forms and was correlated with the surface coating thickness. Contact angles on both single crystal and amorphous surfaces were calculated. To understand the molecular regions affecting the contact angle, the near interface height parameter was defined as the distance from the surface. Then, interface densities and contact angles of single crystal and amorphous structures were calculated at each height parameter. We defined an effective range of intermolecular forces for the control of wetting. Second, heat transfer characteristics at water/silicon interfaces were examined. Solid/liquid interface is important to determine heat transfer at nanoscale. We focused on the influence of ionic conditions on heat transfer for a water-NaCl solution between two silicon walls. The surface charge density showed variation by ionic condition. We calculated surface charges naturally forming at the corresponding electrolyte concentration. With the increase in salinity, the electrolyte solution density increased and thermal conductivity decreased. Results showed good agreement with the experimental measurements. Additionally, we observed a 35% increase in heat transfer due to a decrease in interfacial thermal resistance by increasing ionic concentration to the highest salinity value of standard conditions. Heat transfer at solid/liquid interface characterized by Kapitza length was correlated with the salinity.