Aggregation of an amphiphilic compound in water
||Aggregation of an amphiphilic compound in water|
||SNIC Small Compute|
||Satyajit Das <firstname.lastname@example.org>|
||Kungliga Tekniska högskolan|
||2022-12-01 – 2023-12-01|
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.