Computational Design Strategy for Self-Assembly of DNA-Functionalized Particles

Traditional single-flavored DNA-functionalized particles (DFPs), which are grafted with a single type of DNA sequence, can only recognize and bind to one type of particles carrying the complementary DNA molecules. The blending of different DNA sequences on a single particle can be used to create multi-flavored particles allowing for exquisite control over inter-particle interactions in a system. Binary mixtures of bi-flavored DFPs can be synthesized with varying magnitudes of attraction between like- and unlike- particles. In this talk, we discuss our newly proposed design strategy and how to exploit it to create a variety of crystalline structures, such as binary square lattice, hexagonal alternating-string (A-S) lattice, and hexagonal honeycomb lattice. The predictions of our approach are also tested in the laboratory and an excellent agreement is found between theory/simulation and experiment. Our approach, therefore, opens the way for assembling complex crystalline structures using DNA-mediated interactions.