Title:	Aggregation of an amphiphilic compound in water
DNr:	SNIC 2022/22-1105
Project Type:	SNIC Small Compute
Principal Investigator:	Satyajit Das <satdas@kth.se>
Affiliation:	Kungliga Tekniska högskolan
Duration:	2022-12-01 – 2023-12-01
Classification:	10407
Keywords:

Abstract

To achieve insight into the structures of the supramolecular polymer of chromophore-based amphiphiles, we will investigate and correlate the experimental data of that self-assembly by molecular dynamics simulation. Our goal is to understand the mechanism of those processes of self-assembly structure in an atomically precise manner. The all-atom molecular dynamics simulation tools with a combination of real-time monitoring spectroscopic and macroscopic changes will enhance our understanding of the structure-properties relationship of these supramolecular polymers.