Adapting our behavior to environmental demands relies on our capacity to perceive and manage potential conflicts within our surroundings. While evidence implicates the involvement of the lateral prefrontal cortex and theta oscillations in detecting conflict stimuli, their causal role in conflict expectation remains elusive. Consequently, the exact computations and neural mechanisms underlying these cognitive processes still need to be determined. We employed an integrative approach involving cognitive computational modeling, fMRI, TMS, and EEG to establish a causal link between oscillatory brain function, its neurocomputational role, and the resulting conflict processing and adaptation behavior. Our results reveal a computational process underlying conflict expectation, which correlates with BOLD-fMRI and theta activity in the superior frontal gyrus (SFG). Modulation of theta activity via rhythmic TMS applied over the SFG induces endogenous theta activity, which in turn enhances computations associated with conflict expectation. These findings provide evidence for the causal involvement of SFG theta activity in learning and allocating cognitive resources to address forthcoming conflict stimuli.