The aim of the paper was to present a dedicated theoretical investigation into the thermal performance of a novel solar loop-heat-pipe façade based heat pump water heating system. This involved thermo-fluid analyses, computer numerical model development, the model running up, modelling result analyses and conclusion. An energy balance network was established on each part and the whole range of the system to address the associated energy conversion and transfer processes. On basis of this, a computer numerical model was developed and run up to predict the thermal performance of such a system at different system configurations, layouts and operational conditions. It was suggested that the loop heat pipes could be filled with either water, R134a, R22 or R600a; of which R600a is the favourite working fluid owing to its relatively larger heat transfer capacity and positive pressure in operation. Variations in the system configuration, i.e., glazing covers, heat exchangers, would lead to identifiable differences in the thermal performance of the system, represented by the thermal efficiency and COP. Furthermore, impact of the external operational parameters, i.e., solar radiation and ambient air temperature, to the system's thermal performance was also investigated. The research was based on an innovative loop-heat-pipe façade and came up with useful results reflecting the thermal performance of the combined system between the façade and heat pump. This would help promote development and market penetration of such an innovative solar heating technology, and thus contribute to achieving the global targets in energy saving and carbon emission reduction.