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The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…

Soft Condensed Matter · Physics 2015-06-02 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

We report Monte Carlo simulations of a simple off-lattice patchy-particle model for DNA `bricks'. We relate the parameters that characterise this model with the binding free energy of pairs of single-stranded DNA molecules. We verify that…

Soft Condensed Matter · Physics 2016-07-21 Aleks Reinhardt , Daan Frenkel

We report canonical and grand-canonical lattice Monte Carlo simulations of the self-assembly of addressable structures comprising hundreds of distinct component types. The nucleation behaviour, in the form of free-energy barriers to…

Soft Condensed Matter · Physics 2016-04-18 Aleks Reinhardt , Chon Pan Ho , Daan Frenkel

The design space for a self-assembled multicomponent objects ranges from a solution in which every building block is unique to one with the minimum number of distinct building blocks that unambiguously define the target structure. Using a…

Soft Condensed Matter · Physics 2023-03-13 Joakim Bohlin , Andrew J. Turberfield , Ard A. Louis , Petr Šulc

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to…

Soft Condensed Matter · Physics 2018-04-09 Pedro Fonseca , Flavio Romano , John S. Schreck , Thomas E. Ouldridge , Jonathan P. K. Doye , Ard A. Louis

We study the problem of the self-assembly of nanoparticles (NPs) into finite mesoscopic structures with a programmed local morphology and complex overall shape. Our proposed building blocks are NPs directionally-functionalized with DNA. The…

Soft Condensed Matter · Physics 2013-11-04 Jonathan D. Halverson , Alexei V. Tkachenko

DNA is an ideal candidate to organize matter on the nanoscale, primarily due to the specificity and complexity of DNA based interactions. Recent advances in this direction include the self-assembly of colloidal crystals using DNA grafted…

Soft Condensed Matter · Physics 2009-11-13 Nicholas A. Licata , Alexei V. Tkachenko

Colloidal particles grafted with single-stranded DNA (ssDNA) chains can self-assemble into a number of different crystalline structures, where hybridization of the ssDNA chains creates links between colloids stabilizing their structure.…

Soft Condensed Matter · Physics 2015-06-17 Panagiotis E. Theodorakis , Nikolaos G. Fytas , Gerhard Kahl , Christoph Dellago

We propose a mathematical model of DNA self-assembly using 2D tiles to form 3D nanostructures. This is the first work to combine studies in self-assembly and nanotechnology in 3D, just as Rothemund and Winfree did in the 2D case. Our model…

Computational Complexity · Computer Science 2007-05-23 Ming-Yang Kao , Vijay Ramachandran

In order to optimize a self-assembly reaction, it is essential to understand the factors that govern its pathway. Here, we examine the influence of nucleation pathways in a model system for addressable, multicomponent self-assembly based on…

Soft Condensed Matter · Physics 2018-08-01 Martin Sajfutdinow , William M. Jacobs , Aleks Reinhardt , Christoph Schneider , David M. Smith

Nearly thirty years after its inception, the field of DNA-programmed colloidal self-assembly has begun to realize its initial promise. In this review, we summarize recent developments in designing effective interactions and understanding…

Soft Condensed Matter · Physics 2025-05-08 William M. Jacobs , W. Benjamin Rogers

In equilibrium self-assembly, microscopic building blocks spontaneously self-organize into stable structures as dictated by their interaction potentials, which limits the accessible structural features to those that correspond to global…

Soft Condensed Matter · Physics 2026-04-17 Pepijn G. Moerman , Chenghung Chou , Thomas E. Videbæk , W. Benjamin Rogers , Rebecca Schulman

In the standard DNA brick set-up, distinct 32-nucleotide strands of single-stranded DNA are each designed to bind specifically to four other such molecules. Experimentally, it has been demonstrated that the overall yield is increased if…

Soft Condensed Matter · Physics 2017-04-28 Hannah Wayment-Steele , Daan Frenkel , Aleks Reinhardt

The assembly of colloidal cubic diamond is a challenging process since the shape and interaction parameters and the thermodynamic conditions where this structure is stable are elusive. The simultaneous use of shape-anisotropic particles and…

Soft Condensed Matter · Physics 2024-06-12 Susana Marín-Aguilar , Fabrizio Camerin , Marjolein Dijkstra

Branched molecules of deoxyribonucleic acid (DNA) can self-assemble into nanostructures through complementary cohesive strand base pairing. The production of DNA nanostructures is valuable in targeted drug delivery and biomolecular…

Combinatorics · Mathematics 2022-03-15 D. Chloe Griffin , Jessica Sorrells

Short blunt-ended DNA duplexes comprising 6 to 20 base pairs self-assemble into polydisperse semi-flexible chains due to hydrophobic stacking interactions between terminal base pairs. Above a critical concentration, which depends on…

Soft Condensed Matter · Physics 2012-07-17 Cristiano De Michele , Lorenzo Rovigatti , Tommaso Bellini , Francesco Sciortino

DNA-coated particles are promising as building blocks for functional and finite-sized assemblies because they can be programmed with orthogonal interactions owing to the sequence-specific hybridization of DNA strands. To fully exploit this…

Soft Condensed Matter · Physics 2026-04-17 T. C. M. Stevens , A. van der Sluis , I. K. Voets , P. G. Moerman

In this paper, we explore the feasibility of using coarse-grained models to simulate the self-assembly of DNA nanostructures. We introduce a simple model of DNA where each nucleotide is represented by two interaction sites corresponding to…

Soft Condensed Matter · Physics 2009-10-07 Thomas E. Ouldridge , Iain G. Johnston , Ard A. Louis , Jonathan P. K. Doye

The Watson-Crick complementary properties of DNA make DNA a useful tool for the self-assembly of various target complexes. Concepts from graph theory can be used to model the self-assembling process in which the vertices of the graph…

Combinatorics · Mathematics 2023-02-28 Gabriel Lopez , Cory Johnson

We study DNA self-assembly and DNA computation using a coarse-grained DNA model within the directional dynamic bonding framework {[}C. Svaneborg, Comp. Phys. Comm. 183, 1793 (2012){]}. In our model, a single nucleotide or domain is…

Soft Condensed Matter · Physics 2012-06-13 Carsten Svaneborg , Harold Fellermann , Steen Rasmussen
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