Tuning Colloidal Reactions

TL;DR

This paper introduces a method using differentiable simulators to design and optimize colloidal reactions, enabling controlled disassembly and particle release, with insights into the role of configurational entropy.

Contribution

It presents a novel approach to designing colloidal reactions through differentiable simulation and optimization, advancing control over complex colloidal processes.

Findings

Successful design of reaction pathways for colloidal disassembly

Optimization of external structures for controlled particle release

Insights into the role of configurational entropy in colloidal structures

Abstract

The precise control of complex reactions is critical for biological processes yet our inability to design for specific outcomes limits the development of synthetic analogues. Here, we leverage differentiable simulators to design nontrivial reaction pathways in colloidal assemblies. By optimizing over external structures, we achieve controlled disassembly and particle release from colloidal shells. Lastly, we characterize the role of configurational entropy in the structure via both forward calculations and optimization, inspiring new parameterizations of designed colloidal reactions.