Azobenzene is a well-known molecular photoswitch that can change its conformation under light irradiation. When several azobenzene units are connected into a cyclic structure, the switching of one unit may influence the shape and stability of the entire molecule. Such systems provide simple models for cooperative molecular motion, mechanical signal transmission, and light-responsive materials. 

In this Bachelor project, a minimal coarse-grained model of cyclic azobenzene assemblies will be developed. Each azobenzene unit will be represented by three interaction sites connected by bonds and a bistable angular potential with two preferred conformations. Rings containing three to six switching units will be studied. 

The theoretical part of the project will focus on the formulation of the interaction model, including bistable angular potentials, elastic coupling, steric interactions, and geometric constraints caused by ring closure. The system will also be related to simple statistical-mechanical models of interacting two-state units.

In the simulation part, the models will be implemented in LAMMPS. Molecular dynamics simulations will be used to investigate conformational transitions, collective switching, ring deformation, thermal fluctuations, and the influence of ring size. Possible light-induced switching will be modeled by changing the relative stability of the two angular states.

The project will provide practical experience in coarse-grained molecular modeling, statistical physics, molecular dynamics, and the analysis of collective behavior in responsive molecular systems.