The goal of this study is to identify vocal fold conditions that produce irregular vocal fold vibration and the underlying physical mechanisms. Using a three-dimensional computational model of phonation, parametric simulations are performed with co-variations in vocal fold geometry, stiffness, and vocal tract shape. For each simulation, the cycle-to-cycle variations in the amplitude and period of the glottal area function are calculated, based on which the voice is classified into three types corresponding to regular, quasi-steady or subharmonic, and chaotic phonation. The results show that vocal folds with a large medial surface vertical thickness and low transverse stiffness are more likely to exhibit irregular vocal fold vibration when tightly approximated and subject to high subglottal pressure. Transition from regular vocal fold vibration to vocal instabilities is often accompanied by energy redistribution among the first few vocal fold eigenmodes, presumably due to nonlinear interaction between eigenmodes during vocal fold contact. The presence of a vocal tract may suppress such contact-related vocal instabilities, but also induce new instabilities, particularly for less constricted vocal fold conditions, almost doubling the number of vocal fold conditions producing irregular vibration.