Computational Reverse-Engineering Analysis for Scattering Experiments of Assembled Binary Mixture of Nanoparticles.

ABSTRACT: In this paper, we describe a computational method for analyzing results from scattering experiments on dilute solutions of supraparticles, where each supraparticle is created by the assembly of nanoparticle mixtures. Taking scattering intensity profiles and nanoparticle mixture composition and size distributions in each supraparticle as input, this computational approach called computational reverse engineering analysis for scattering experiments (CREASE) uses a genetic algorithm to output information about the structure of the assembled nanoparticles (e.g., real space pair correlation function, extent of nanoparticle mixing/segregation, sizes of domains) within a supraparticle. We validate this method by taking as input in silico scattering intensity profiles from coarse-grained molecular

SUBMITTER: Heil CM 

PROVIDER: S-EPMC9888618 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature