This paper describes potential challenges and opportunities for using thermal simulation tools to optimize building performance. After reviewing current trends in thermal simulation, it outlines major criteria for the evaluation of building thermal simulation tools based on specifications and capabilities in interoperability. Details are discussed including workflow of data exchange of multiple thermal analyses such as the BIM-based application. The present analysis focuses on selected thermal simulation tools that provide functionalities to exchange data with other tools in order to obtain a picture of its basic work principles and to identify selection criteria for generic thermal tools in BIM. Significances and barriers to integration design with BIM and building thermal simulation tools are also discussed.