Intra- and intermolecular structure formation in the presence of specific interactions (A07)

• Subject Area: Experimental and Theoretical Physics of Polymers ; Statistical Physics, Nonlinear Dynamics, Complex Systems, Soft and Fluid Matter, Biological Physics
• Term: from 2011 to 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 189853844

In this theoretical project ordering processes in different polymers of synthetic and biological origin are studied. Using Stochastic Approximation Monte Carlo (SAMC) simulations, we want to address the ordering transition of long alkane chains under the constraint of confining surfaces with and without epitaxy and with different attraction strengths. Using Molecular Dynamics simulations, we will study growth of seeded crystals of polyethylen, poly(ethylene oxide) and poly(ε-caprolactone) from the melt. In our work on peptides we will use SAMC simulations to study the dimerization behavior and, where possible early fibril growth of poly-glutamine, of Aβ1-40 and of an amyloid forming segment of the parathyroid hormone (PTH1-40).

• DFG Programme: CRC/Transregios
• Subproject of: TRR 102: Polymers under Multiple Constraints: Restricted and Controlled Molecular Order and Mobility
• Applicant Institution: Martin-Luther-Universität Halle-Wittenberg
• Project Head: Professor Dr. Wolfgang Paul