Principal Investigator:
Marcus Müller
, Institute for Theoretical Physics, Georg-August University, Göttingen
HPC Platform used:
JUWELS and JUWELS Booster of JSC
Local Project ID:
chgu14
Synthetic or biological amphiphiles self-assemble into spatially modulated structures on the nanoscale with applications ranging from etch masks in semiconductor fabrication, over porous membranes for separation or energy applications, to the compartmentalization of living cells. Often, such systems do not reach thermal equilibrium but, instead, the structures are dictated by processing and kinetic pathways. These molecular simulations provide insight into the correlation between molecular structure and collective dynamics that alter the self-assembly. Two results are being highlighted: (i) the kinetically accessible states in the course of directed self-assembly and (ii) the kinetic pathway of the fusion of two apposing lipid membranes.
