This paper reviews some of our recent applications of computational fluid dynamics (CFD) to model heat and mass transfer problems in neonatology and investigates the major heat and mass transfer mechanisms taking place in medical devices such as incubators and oxygen hoods. This includes novel mathematical developments giving rise to a supplementary model, entitled infant heat balance module, which has been fully integrated with the CFD solver and its graphical interface. The numerical simulations are validated through comparison tests with experimental results from the medical literature. It is shown that CFD simulations are very flexible tools that can take into account all modes of heat transfer in assisting neonatal care and the improved design of medical devices.