Inverse design of a pyrochlore lattice of DNA origami through model-driven experiments

• DOI: 10.1126/science.adl5549
• Publication Date: 2024-05-16T17:59:46Z
• Authors: Hao Liu; Michael Matthies; John Russo; Lorenzo Rovigatti; Raghu Pradeep Nar...; Thong Diep; Daniel McKeen; Oleg Gang; Nicholas Stephano...; Francesco Sciortino; Hao Yan; Flavio Romano; Petr Šulc
• Keywords: Intuition; Lattice (music); DNA origami

Sophisticated statistical mechanics approaches and human intuition have demonstrated the possibility of self-assembling complex lattices or finite-size constructs. However, attempts so far mostly only been successful in silico often fail experiment because unpredicted traps associated with kinetic slowing down (gelation, glass transition) competing ordered structures. Theoretical predictions also face difficulty encoding desired interparticle interaction potential experimentally available nano- micrometer-sized particles. To overcome these issues, we combine SAT assembly (a patchy-particle design algorithm based on constrained optimization) coarse-grained simulations DNA nanotechnology to realize trap-free self-assembly pathways. We use this approach assemble a pyrochlore three-dimensional lattice, coveted for its promise construction optical metamaterials, characterize it small-angle x-ray scattering scanning electron microscopy visualization.