Molecular dynamics (MD) simulation is performed to model interfaces between asphalt and aggregate. An asphalt-quartz structure model of the interface is proposed in terms of density, position, thickness, and molecular orientations. CVFF_aug (Augmented Consistent Valence Force Field) force field is adopted to characterize the inter-atom interactions. The present simulations are among the first attempts to conduct full atomistic molecular simulations on a multi-component based asphalt-aggregate interface interaction. The chemical composition is chosen to represent compounds found in real asphalts. Different molecules are chosen to reflect saturate, naphthene aromatic, asphaltene components and quartz atom structure. The interfacial atom trajectories displayed properties in simulations which are qualitatively similar to those of real asphalt-aggregate interface shearing. It is found that the CVFF_aug force field provides qualitatively acceptable results for predicting the interface atom interaction between asphalt and quartz. The simulations were performed using the computer program LAMMPS.