Using the uncertainty principle to design simple interactions for targeted self-assembly

TL;DR

This paper introduces a systematic method using the uncertainty principle to simplify isotropic interactions for targeted self-assembly, enabling easier experimental implementation of complex materials.

Contribution

It presents a novel approach combining heat kernel smoothing and Gaussian screening to simplify interactions for self-assembly, improving practical feasibility.

Findings

Interactions are significantly simpler than previous designs.

Designed interactions are suitable for experimental realization.

Method successfully targets complex lattice self-assembly.

Abstract

We present a method that systematically simplifies isotropic interactions designed for targeted self-assembly. The uncertainty principle is used to show that an optimal simplification is achieved by a combination of heat kernel smoothing and Gaussian screening. We use this method to design isotropic interactions for self-assembly of complex lattices and of materials with functional properties. The interactions we derive are significantly simpler than those previously published, and it is realistic to discuss explicit experimental implementation of the designed self-assembling components.