Low salinity/smart waterflooding is simple to apply and a promising enhanced oil recovery method in which ion-tuned saltwater is injected into subsurface oil reservoirs. Many aspects of this operation, in particular those pertaining to nano-scale, are not yet fully understood. The present dissertation is an attempt to shed light on the microscopic properties and behavior of rock/brine/oil interfaces throughout low salinity/smart waterflooding. Several simulations were carried out for oil/brine and calcite/brine categories each containing various ions and hydrocarbons compounds. The surface contribution of non-functional oil compounds (aromatics and aliphatics) near brine medium was...