Multiscale data and observations require full integration between the models developed, and data collected, at any given scale. The spatial and temporal interactions across scales must be modeled properly in order to represent the dynamics associated with coupled nonlinear processes, of which transport in shales is one example. A primary objective is to combine theory, experiments and simulation to understand the physical and chemical interactions at the molecular and microscales, and to develop mechanistic models with improved predictions of the system’s response at the macroscale. This task addresses the fragmentation challenge (BERAC 2013 ”fragmentation of science, technologies, and predictive capabilities among disciplines and the focus on studying mostly individual, scale-based system components [· · · ] leads to fundamental uncertainties about how coupled sub- systems interact with each other and respond to environmental changes across different space and time scales. The lack of sufficient science-based capabilities to predict these interactions and responses hinders the ability to sustainably manage and mitigate energy and environmental problems”.