A one-year postdoctoral position is available in the Department of Chemistry Materials and Chemical Engineering beginning on October 1, 2024. The project involves the study of Pluronic by means of molecular dynamics simulations. Candidates should have a background in theoretical and computational chemistry. Experience in molecular dynamics simulation and computer programming is highly desirable.
Access:
A public selection is hereby organized to grant n° 1 temporary research fellowship to grant research activity, on a fixed-term basis.
Details about the position description and application submission will soon be published on this page.
Title:
Computational characterization of pluronics transport properties in aqueous solutions.
Research programme:
Pluronics, also known as poloxamers, are nonionic amphiphilic copolymers with a triblock structure containing poly(propylene oxide) (PPO) and poly(ethylene oxide) (PEO). Thanks to their unique properties, these synthetic polymers find many applications in the pharmaceutical and cosmetic industry. In water, pluronics may exist as unimers, micelles, and other supramolecular structures, depending on concentration and temperature. Understanding the mechanisms underlying the transitions between these phases on the molecular scale is key to many applications. The first step of this investigation involves the characterization of the transport properties of individual pluronics molecules in dilute solutions. Within the present project, this goal will be addressed by means of molecular dynamics.
Research activity:
The research activity will cover all the stages necessary to project development, from the generation of the input structures required for the calculations, to the analysis of the molecular dynamics trajectories. Simulation results will be thoroughly compared with the experimental results available in the literature for the selected compounds. The researcher will actively contribute to the goals identified in the 2022 PRIN project Non-equilibrium self-assembly of structured fluids: a multi-scale engineering problem (2022JJRH8H, CUP D53D23003620006).
Contacts:
Mosè Casalegno, mose.casalegno@polimi.it.