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We introduce allostery-mimetic building blocks model for self-assembly of 3D structures. We represent the building blocks as patchy particles, where each binding site (patch) can be irreversibly activated or deactivated by binding of the…

Computational Physics · Physics 2024-03-19 Joshua Evans , Petr Šulc

We investigate the self-assembly (crystallisation) of particles with hard cores and isotropic, square-well interactions, using a Monte Carlo scheme to simulate overdamped Langevin dynamics. We measure correlation and response functions…

Soft Condensed Matter · Physics 2015-03-19 Daphne Klotsa , Robert L. Jack

The self-assembly of anisotropic building blocks into complex spatial architectures is an important design strategy in material science but the mechanisms by which the anisotropic interactions influence the early-stage growth and formation…

Soft Condensed Matter · Physics 2026-05-05 Dillip Kumar Mohapatra , Teun W. J. Verouden , Janne-Mieke Meijer

Patchy particles are a class of colloids with functionalized surfaces. Through surface functionalization, the strength and directionality of the colloidal interactions are tunable allowing control over coordination of the particle.…

Soft Condensed Matter · Physics 2013-10-21 Cristóvão Dias , Nuno Araújo , Margarida Telo da Gama

When a biological system robustly corrects component-level errors, the direct pressure on component performance declines. Components may become less reliable, maintain more genetic variability, or drift neutrally in design, creating the…

Populations and Evolution · Quantitative Biology 2023-12-27 Steven A. Frank

Spontaneous self-assembly in molecular systems is a fundamental route to both biological and engineered soft matter. Simple micellisation, emulsion formation, and polymer mixing principles are well understood. However, the principles behind…

Soft Condensed Matter · Physics 2021-09-21 Alberto Scacchi , Sousa Javan Nikkhah , Maria Sammalkorpi , Tapio Ala-Nissila

We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…

Computational Physics · Physics 2020-07-15 Benedikt Hartl , Shubham Sharma , Oliver Brügner , Stijn F. L. Mertens , Michael Walter , Gerhard Kahl

We use analytic theory and computer simulation to study patterns formed during the growth of two-component assemblies in 2D and 3D. We show that these patterns undergo a nonequilibrium phase transition, at a particular growth rate, between…

Statistical Mechanics · Physics 2014-05-12 Stephen Whitelam , Lester O. Hedges , Jeremy D. Schmit

Self-assembly is a fundamental concept in biology and of significant interest to nanotechnology. Significant progress has been made in characterizing and controlling the properties of the resulting structures, both experimentally and…

Soft Condensed Matter · Physics 2024-03-06 Florian M. Gartner , Erwin Frey

External control of the swimming speed of `active particles' can be used to self assemble designer structures in situ on the micrometer to millimeter scale. We demonstrate such reconfigurable templated active self assembly in a fluid…

Soft Condensed Matter · Physics 2018-02-23 Jochen Arlt , Vincent A Martinez , Angela Dawson , Teuta Pilizota , Wilson C K Poon

Colloidal molecules are designed to mimic their molecular analogues through their anisotropic shape and interactions. However, current experimental realizations are missing the structural flexibility present in real molecules thereby…

We propose a new strategy for robust high-quality self-assembly of non-trivial periodic structures out of patchy particles, and investigate it with Brownian Dynamics (BD) simulations. Its first element is the use of specific patch-patch and…

Soft Condensed Matter · Physics 2017-08-09 Niladri Patra , Alexei V. Tkachenko

Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches employ high-throughput sampling and focus on reducing the…

Thanks to a constant energy input, active matter can self-assemble into phases with complex architectures and functionalities such as living clusters that dynamically form, reshape and break-up, which are forbidden in equilibrium materials…

Soft Condensed Matter · Physics 2019-03-27 Falko Schmidt , Benno Liebchen , Hartmut Löwen , Giovanni Volpe

A series of simulations aimed at elucidating the self-assembly dynamics of spherical virus capsids is described. This little-understood phenomenon is a fascinating example of the complex processes that occur in the simplest of organisms.…

Soft Condensed Matter · Physics 2015-05-19 D. C. Rapaport

In self-assembly processes, kinetic trapping effects often hinder the formation of thermodynamically stable ordered states. In a model of viral capsid assembly and in the phase transformation of a lattice gas, we show how simulations in a…

Biomolecules · Quantitative Biology 2015-05-28 Michael F. Hagan , Oren M. Elrad , Robert L. Jack

We detail the application of bounding volume hierarchies to accelerate second-virial evaluations for arbitrary complex particles interacting through hard and soft finite-range potentials. This procedure, based on the construction of…

Soft Condensed Matter · Physics 2017-12-14 Maxime M. C. Tortora , Jonathan P. K. Doye

We study theoretically a new generic scheme of programmable self-assembly of nanoparticles into clusters of desired geometry. The problem is motivated by the feasibility of highly selective DNA-mediated interactions between colloidal…

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

The process of self-assembly is guided by the minimization of free energy, which limits the symmetries available for assembly and ultimately the usefulness of devices fabricated in this fashion. Here, we demonstrate experimentally for the…

We show that geometric frustration in a broad class of deformable and naturally curved, shell-like colloidal particles gives rise to self-limiting assembly of finite-sized stacks that far exceed particle dimensions. When inter-particle…

Soft Condensed Matter · Physics 2023-08-08 Nabila Tanjeem , Douglas M. Hall , Montana B. Minnis , Ryan C. Hayward , Gregory M. Grason
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