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We present a direct method for solving the inverse problem of designing isotropic potentials that cause self-assembly into target lattices. Each potential is constructed by matching its energy spectrum to the reciprocal representation of…

Materials Science · Physics 2015-03-19 Erik Edlund , Oskar Lindgren , Martin Nilsson Jacobi

We formulate statistical-mechanical inverse methods in order to determine optimized interparticle interactions that spontaneously produce target many-particle configurations. Motivated by advances that give experimentalists greater and…

Soft Condensed Matter · Physics 2007-05-23 Mikael C. Rechtsman , Salvatore Torquato , Frank H. Stillinger

Isotropic pairwise interactions that promote the self assembly of complex particle morphologies have been discovered by inverse design strategies derived from the molecular coarse-graining literature. While such approaches provide an avenue…

Statistical Mechanics · Physics 2019-10-15 Beth A. Lindquist , Ryan B. Jadrich , Michael P. Howard , Thomas M. Truskett

We address the inverse problem of designing isotropic pairwise particle interaction potentials that lead to the formation of a desired lattice when a system of particles is cooled. The design problem is motivated by the desire to produce…

Adaptation and Self-Organizing Systems · Physics 2009-05-13 Philip du Toit , Katalin Grubits , Jerrold Marsden , Sorin Costiner

One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…

Materials Science · Physics 2017-09-08 R. B. Jadrich , B. A. Lindquist , T. M. Truskett

In this paper we introduce a new method to design interparticle interactions to target arbitrary crystal structures via the process of self-assembly. We show that it is possible to exploit the curvature of the crystal nucleation free-energy…

Soft Condensed Matter · Physics 2010-12-21 William L. Miller , Angelo Cacciuto

The synthesis of complex materials through the self-assembly of particles at the nanoscale provides opportunities for the realization of novel material properties. However, the inverse design process to create experimentally feasible…

Soft Condensed Matter · Physics 2022-03-01 Carl S. Adorf , James Antonaglia , Julia Dshemuchadse , Sharon C. Glotzer

A key challenge towards the goal of multi-part assembly tasks is finding robust sensorimotor control methods in the presence of uncertainty. In contrast to previous works that rely on a priori knowledge on whether two parts match, we aim to…

Robotics · Computer Science 2021-05-12 Peter A. Zachares , Michelle A. Lee , Wenzhao Lian , Jeannette Bohg

Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures (Phys. Rev. Lett. 95, 228301…

Soft Condensed Matter · Physics 2009-11-11 Mikael C. Rechtsman , Frank H. Stillinger , Salvatore Torquato

The traditional goal of inverse self-assembly is to design interactions that drive particles toward a desired target structure. However, achieving successful self-assembly also requires tuning the thermodynamic conditions under which the…

Soft Condensed Matter · Physics 2025-06-16 Camilla Beneduce , Giuseppe Mastriani , Petr Šulc , Francesco Sciortino , John Russo

Both biological and artificial self-assembly processes can take place by a range of different schemes, from the successive addition of identical building blocks, to hierarchical sequences of intermediates, all the way to the fully…

Soft Condensed Matter · Physics 2015-08-12 Jim Madge , Mark A. Miller

Inverse design can be a useful strategy for discovering interactions that drive particles to spontaneously self-assemble into a desired structure. Here, we extend an inverse design methodology--relative entropy optimization--to determine…

Soft Condensed Matter · Physics 2018-03-16 William D. Piñeros , Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

Curved structures in soft matter and biological systems commonly emerge as a result of self-assembly processes where building blocks aggregate in a controlled manner, giving rise to specific system structure and properties. Learning how to…

Soft Condensed Matter · Physics 2025-02-24 Andraž Gnidovec , Simon Čopar

The goal of inverse self-assembly is to design inter-particle interactions capable of assembling the units into a desired target structure. The effective assembly of complex structures often requires the use of multiple components, each new…

Soft Condensed Matter · Physics 2023-11-08 Camilla Beneduce , Francesco Sciortino , Petr Sulc , John Russo

This article reviews recent inverse statistical-mechanical methodologies that we have devised to optimize interaction potentials in soft matter systems that correspond to stable "target" structures. We are interested in finding the…

Soft Condensed Matter · Physics 2008-11-05 Salvatore Torquato

Inverse methods of statistical mechanics have facilitated the discovery of pair potentials that stabilize a wide variety of targeted lattices at zero temperature. However, such methods are complicated by the need to compare, within the…

Statistical Mechanics · Physics 2016-09-19 Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

A major goal in nanoscience and nanotechnology is the self-assembly of any desired complex structure with a system of particles interacting through simple potentials. To achieve this objective, intense experimental and theoretical efforts…

Soft Condensed Matter · Physics 2014-09-11 Daniel Salgado-Blanco , Carlos I. Mendoza

We devise an inverse statistical-mechanical methodology to find optimized interaction potentials that lead spontaneously to a target many-particle configuration. Target structures can possess varying degrees of disorder, thus extending the…

Soft Condensed Matter · Physics 2009-11-11 Mikael Rechtsman , Frank Stillinger , Salvatore Torquato

Self-assembly in natural and synthetic molecular systems can create complex aggregates or materials whose properties and functionality rises from their internal structure and molecular arrangement. The key microscopic features that control…

Soft Condensed Matter · Physics 2021-09-03 Alberto Scacchi , Maria Sammalkorpi , Tapio Ala-Nissila

Controlled micro- to meso-scale porosity is a common materials design goal with possible applications ranging from molecular gas adsorption to particle size selective permeability or solubility. Here, we use inverse methods of statistical…

Soft Condensed Matter · Physics 2016-03-11 Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett
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