When an overhand knot tied in an elastic rod is tightened, it can undergo a sudden change in shape through snap buckling. In this article, we use a combination of discrete differential geometry (DDG)-based simulations and tabletop experiments to explore the onset of buckling as a function of knot topology, rod geometry, and friction. In our setup, two open ends of an overhand knot are slowly pulled apart, which leads to snap buckling in the knot loop. We call this phenomenon “inversion” since the loop appears to move dramatically from one side of the knot to the other. This inversion occurs due to the coupling of elastic energy between the braid (the portion of the knot in self-contact) and the loop (the portion of the knot with two ends connected to the braid). A numerical framework is implemented that combines discrete elastic rods with a constraint-based method for frictional contact to explore inversion in overhand knots. The numerical simulation robustly captures inversion in the knot and is found to be in good agreement with experimental results. In order to gain physical insight into the inversion process, we also develop a simplified model of the knot that does not require simulation of self-contact, which allows us to visualize the bifurcation that results in snap buckling.