Computational Design and Simulations of Soft Matter: From Molecular Insights to Functional Materials
20 20 people viewed this event.
Prof. Dr. Antonia Statt, University of Illinois at Urbana-Champaign (USA)
This talk will first focus on the molecular inverse design of sequence-defined macromolecules for complex self-assembled disordered large-scale aggregates. By combining large-scale molecular dynamics simulations of simple models and machine learning, we identify monomer sequences that enable the design of precise target morphologies, such as drug delivery vesicles or micelles. The second topic addresses the morphology of hybrid lipid block-copolymer bilayers, offering new insights for the design of artificial membranes, transmembrane proteins, and interactions of nanoplastics with membranes.
Additional Details
Seminar Room -