Architectural design research in next-generation building systems is transforming dynamic building envelope performance towards systems that not only meet the energy demands of buildings but also respond to occupant preferences for aesthetics, comfort and control. Although research provides tremendous potential for future systems, existing tools and methods of evaluation primarily focus on energy efficiency and continue to postpone human factors issues. In order to assess the architectural opportunities of nano- and micro-material innovations for building facades, new simulation methods are needed to predict and program their multifunctional performance capabilities, particularly in relationship to human interaction. This paper describes the construction of augmented reality simulations and preliminaiy experimental results of co-optimizing advanced building skin performance according to multiuser interaction and bioclimatic response. The strengths and limitations of the augmented reality simulations in relation to environmental performance and human interaction are presented. A discussion of ongoing work focuses on the integration of multiuser interactions and virtual reality techniques coupled with whole-building energy modeling methods.