Dynamical systems are widespread, with examples in physics, chemistry, biology, population dynamics, communications, climatology and social science. They are rarely isolated but generally interact with each other. These interactions can be characterized by coupling functions—which contain detailed information about the functional mechanisms underlying the interactions and prescribe the physical rule specifying how each interaction occurs. Coupling functions can be used, not only to understand, but also to control and predict the outcome of the interactions. This theme issue assembles ground-breaking work on coupling functions by leading scientists. After overviewing the field and describing recent advances in the theory, it discusses novel methods for the detection and reconstruction of coupling functions from measured data. It then presents applications in chemistry, neuroscience, cardio-respiratory physiology, climate, electrical engineering and social science. Taken together, the collection summarizes earlier work on coupling functions, reviews recent developments, presents the state of the art, and looks forward to guide the future evolution of the field.This article is part of the theme issue ‘Coupling functions: dynamical interaction mechanisms in the physical, biological and social sciences’.