Third Party Funds Group - Sub project
Acronym: SFB 1411 - D01
Start date : 01.01.2020
End date : 31.12.2023
The objective is to establish strategies for the targeted design of nanoparticles and solid pores based on the unique information gained from first-principles molecular modelling studies. We will make use of ad-vanced simulations of nanoparticles in bulk and confined liquids to understand the relation between the molecular and mean-field description of the nanoparticle thermodynamic properties, interaction potentials, and emergent correlations. We will use these results to optimise the experiments and enable parametrisation of mesoscopic simulations with the aim of understanding and tailoring nanoparticle stability and separation in complex geometries.