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We propose a general framework for solving inverse self-assembly problems, i.e. designing interactions between elementary units such that they assemble spontaneously into a predetermined structure. Our approach uses patchy particles as…

Soft Condensed Matter · Physics 2022-07-13 John Russo , Flavio Romano , Lukas Kroc , Francesco Sciortino , Lorenzo Rovigatti , Petr Sulc

We propose an optimisation method for the inverse structural design of self-assembly of anisotropic patchy particles. The anisotropic interaction can be expressed by the spherical harmonics of the surface pattern on a patchy particle, and…

Soft Condensed Matter · Physics 2025-02-21 Uyen Tu Lieu , Natsuhiko Yoshinaga

While colloids are promising building blocks for the self-assembly of materials with novel microstructures, their numerous tunable parameters inhibit brute force searching for appropriate parameter combinations that yield self-assembly of a…

Soft Condensed Matter · Physics 2020-03-13 Beth A Lindquist

We use computer simulations to investigate self-assembly in a system of model chaperonin proteins, and in an Ising lattice gas. We discuss the mechanisms responsible for rapid and efficient assembly in these systems, and we use measurements…

Soft Condensed Matter · Physics 2011-12-09 James Grant , Robert L. Jack , Stephen Whitelam

Self-assembly is one of the prevalent strategies used by living systems to fabricate ensembles of precision nanometer-scale structures and devices. The push for analogous approaches to create synthetic nanomaterials has led to the…

The principle of maximum entropy is a broadly applicable technique for computing a distribution with the least amount of information possible constrained to match empirical data, for instance, feature expectations. We seek to generalize…

Information Theory · Computer Science 2022-05-30 Kenneth Bogert

We introduce a contact law for the normal force generated between two contacting, elastically anisotropic bodies of arbitrary geometry. The only requirement is that their surfaces be smooth and frictionless. This anisotropic contact law is…

Soft Condensed Matter · Physics 2021-04-23 Saviz Mowlavi , Ken Kamrin

There is evidence that the self-assembly of complex molecular systems often proceeds hierarchically, by first building subunits that later assemble in larger entities, in a process that can repeat multiple times. Yet, our understanding of…

Soft Condensed Matter · Physics 2025-09-15 Miranda Holmes-Cerfon , Matthieu Wyart

A lattice model with soft repulsion followed by attraction is developed for a monolayer of hybrid core-shell particles self-assembling at an interface. The model is solved exactly in one dimension. One, two or three periodic structures and…

Soft Condensed Matter · Physics 2017-01-03 Alina Ciach , Jakub Pekalski

Non-prehensile manipulation such as pushing is typically subject to uncertain, non-smooth dynamics. However, modeling the uncertainty of the dynamics typically results in intractable belief dynamics, making data-efficient planning under…

Robotics · Computer Science 2024-06-28 Julius Jankowski , Lara Brudermüller , Nick Hawes , Sylvain Calinon

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

One of the fundamental goals of nanotechnology is to exploit selective and directional interactions between molecules to design particles that self-assemble into desired structures, from capsids, to nano-clusters, to fully formed crystals…

Soft Condensed Matter · Physics 2020-09-16 Flavio Romano , John Russo , Lukáš Kroc , Petr Šulc

Multi-component self-assembly mixtures offer the possibility of encoding multiple target structures with the same set of interacting components. Selective retrieval of one of the stored structures has been attempted by preparing an initial…

Soft Condensed Matter · Physics 2022-03-23 Arunkumar Bupathy , Daan Frenkel , Srikanth Sastry

Robust and adaptive robotic peg-in-hole assembly under tight tolerances is critical to various industrial applications. However, it remains an open challenge due to perceptual and physical uncertainties from contact-rich interactions that…

We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…

Soft Condensed Matter · Physics 2018-01-10 William D. Piñeros , Michael Baldea , Thomas M. Truskett

This work presents a scalable computational framework for optimal design under uncertainty with application to multi-material insulation components of building envelopes. The forward model consists of a multi-phase thermo-mechanical model…

Optimization and Control · Mathematics 2023-04-20 Jingye Tan , Danial Faghihi

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…

Self-assembly is the autonomous organization of components into patterns or structures: an essential ingredient of biology and a desired route to complex organization. At equilibrium, the structure is encoded through specific interactions,…

Soft Condensed Matter · Physics 2018-10-03 Antoine Aubret , Mena Youssef , Stefano Sacanna , Jérémie Palacci

Designing heterogeneous, self-assembling systems is a central challenge in soft matter and biology. We present a framework that uses gradient-based optimization to invert an analytical yield calculation, tuning systems toward target…

Soft Condensed Matter · Physics 2025-10-21 Livia A. J. Guttieres , Ryan K. Krueger , Remi Drolet , Michael P. Brenner

We simulate crystallisation of hard spheres with short-ranged attractive potentials, as a model self-assembling system. We show how measurements of correlation and response functions during assembly can be used to tune the interaction…

Soft Condensed Matter · Physics 2014-03-10 Daphne Klotsa , Robert L. Jack