Energy efficient design and management of data centers has seen considerable interest in the recent years owing to its potential to reduce the overall energy consumption and thereby the costs associated with it. Therefore, it is of utmost importance that new methods for improved physical design of data centers, resource management schemes for efficient workload distribution and sustainable operation for improving the energy efficiency, be developed and tested before implementation on an actual data center. The BlueTool project, provides such a state-of-the-art platform, both software and hardware, to design and analyze energy efficiency of data centers. The software platform, namely GDCSim uses cyber-physical approach to study the physical behavior of the data center in response to the management decisions by taking into account the heat recirculation patterns in the data center room. Such an approach yields best possible energy savings owing to the characterization of cyber-physical interactions and the ability of the resource management to take decisions based on physical behavior of data centers. The GDCSim mainly uses two Computational Fluid Dynamics (CFD) based cyber-physical models namely, Heat Recirculation Matrix (HRM) and Transient Heat Distribution Model (THDM) for thermal predictions based on different management schemes. They are generated using a model generator namely BlueSim. To ensure the accuracy of the thermal predictions using the GDCSim, the models, HRM and THDM and the model generator, BlueSim need to be validated experimentally. For this purpose, the hardware platform of the BlueTool project, namely the BlueCenter, a mini data center, can be used. As a part of this thesis, the HRM and THDM were generated using the BlueSim and experimentally validated using the BlueCenter. An average error of 4.08% was observed for BlueSim, 5.84% for HRM and 4.24% for THDM. Further, a high initial error was observed for transient thermal prediction, which is due to the inability of BlueSim to account for the heat retained by server components.