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

• DOI: 10.48550/arxiv.2310.10995
• Publication Date: 2023-01-01
• 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: DNA origami; Lattice (music)

Sophisticated statistical mechanics approaches and human intuition have demonstrated the possibility to self-assemble complex lattices or finite size constructs, but mostly only been successful in silico. The proposed strategies quite often fail experiment due unpredicted traps associated kinetic slowing down (gelation, glass transition), as well competing ordered structures. An additional challenge that theoretical predictions face is difficulty encode desired inter-particle interaction potential with currently available library of nano- micron-sized particles. To overcome these issues, we conjugate here SAT-assembly -- a patchy-particle design algorithm based on constrained optimization solvers coarse-grained simulations DNA nanotechnology experimentally realize trap-free self-assembly pathways. As proof concept investigate assembly pyrochlore (also known tetrastack) lattice, highly coveted 3D crystal lattice its promise construction optical metamaterials. We confirm two different patchy origami designs via SAXS SEM visualization silica-coated lattice. Our approach offers versatile modeling pipeline starts from particles designed silico ends wireframe into structure.