Understanding the interfacial heat transfer and thermal resistance at an interface between two dissimilar materials is of great importance in the development of nanoscale systems. A novel and reliable theoretical method for calculating the Kapitza resistance in solid-fluid interfaces is developed, and the theoretical predictions are validated against classical molecular dynamics (MD) simulations. The predicted Kapitza length shows an excellent agreement with the results obtained from both EMD and non-equilibrium MD (NEMD) simulations under various conditions. The EMD method is further extended to a practical system such as the graphene-water interface and the size effect of the Kapitza resistance on different factors such as the number of graphene layers, the cross-sectional area, and the width of the water block are studied. The Kapitza resistance decreases slightly with an increase in the number of layers, while the influence of the cross-sectional area and the width of the water block is negligible. The values obtained from both the EMD and the non-equilibrium molecular dynamics (NEMD) methods are compared for different potentials and water models, and the results are in good agreement. Furthermore, the Kapitza resistance at the water-carbon nanotube (CNT) interface, with water on the inside of the nanotube, is investigated. The Kapitza resistance between the CNT and the confined water strongly depends on the nanotube's diameter and decreases with an increase in the CNT diameter. A slight rise in The Kapitza resistance with the addition of CNT walls is observed, whereas the chirality and flow do not have any impact. Finally, the impact of various electrostatic interactions on the Kapitza resistance on a boron nitride-water system is investigated. An increase in the partial charges on boron and nitride caused a reduction in the Kapitza resistance due to a better hydrogen bonding between BNNT and water. Nevertheless, the addition of NaCl salt into water does not influence interfacial thermal transport since the cumulative Coulombic interaction between the ions, and the BNNT is significantly less compared with water molecules. Besides, the Kapitza resistance is nearly independent of the practical range of applied electric fields, whereas the extreme range of electric fields caused structural changes in water. The ordering of water molecules towards the charged surface leads to an increase in the layering effect, causing the reduction in the Kapitza resistance in the presence of an electric field. These findings provide insight into the mechanisms of interfacial thermal transport, which helps design various nanoscale systems efficiently.