In this study, Pd(111) and Pd(100) slab surface models, consisting of 900 (= 4 × 15 × 15) atoms per unit cell (Fig. ), were used to simulate the complete oxidation of a methane molecule by two dioxygen molecules. With this model, the (111) surface was more stable than the (100) surface by 0.09 eV/atom. During the SC-AFIR search, an artificial force was systematically applied to the atoms in the three reactant molecules and nine surface atoms highlighted in blue in the insets of Fig. . In other words, the search systematically located bond formation and dissociation pathways involving these atoms. The kinetic navigation option was used to distinguish between kinetically accessible and inaccessible pathways.