English

Connecting Inverse Design with Experimentally Relevant Models

Soft Condensed Matter 2020-03-13 v1

Abstract

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 desired structure. Instead, inverse approaches that invoke a systematic optimization framework can effectively navigate this design space. In this proceeding, we apply one such inverse technique, Relative Entropy Minimization, to discover isotropic pairwise interaction potentials that prompt self-assembly of clusters in silico. The functional form of the pair interaction is chosen to model a mixture of charged colloids and neutral polymers that act as depletants, and the parameters are directly connected to experimentally tunable quantities.

Keywords

Cite

@article{arxiv.2003.05896,
  title  = {Connecting Inverse Design with Experimentally Relevant Models},
  author = {Beth A Lindquist},
  journal= {arXiv preprint arXiv:2003.05896},
  year   = {2020}
}

Comments

9 pages, 3 figures, 33rd Annual CSP workshop

R2 v1 2026-06-23T14:13:04.450Z