Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 110, Issue 46, Pages 18431-18435Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1316533110
Keywords
DNA-grafted colloids; inverse design; nanostructures; crystal lattice predictions; evolutionary algorithm
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Funding
- US Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Materials Sciences and Engineering [DE-FG02-12ER46909]
- DOE, BES [DE-AC02-98CH10886]
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In conventional research, colloidal particles grafted with single-stranded DNA are allowed to self-assemble, and then the resulting crystal structures are determined. Although this Edisonian approach is useful for a posteriori understanding of the factors governing assembly, it does not allow one to a priori design ssDNA-grafted colloids that will assemble into desired structures. Here we address precisely this design issue, and present an experimentally validated evolutionary optimization methodology that is not only able to reproduce the original phase diagram detailing regions of known crystals, but is also able to elucidate several previously unobserved structures. Although experimental validation of these structures requires further work, our early success encourages us to propose that this genetic algorithm-based methodology is a promising and rational materials-design paradigm with broad potential applications.
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