Self-Assembly Propensities and Pathways for Patchy Particles

In this work we use a new computational method, bottom-up building block assembly to generate ordered, energy-minimizing configurations for a family of complex interacting patchy particles. We also generate assembly pathways that elucidate ways large clusters can be generated by combing smaller energy-minimizing clusters of patchy particles. We observe common characteristics of assembly pathways that correspond to particles with favorable and unfavorable self-assembly characteristics and demonstrate design strategies for overcoming barriers to self-assembly.