This repository contains the code for my bachelor thesis in physics at the University of Vienna about molecular dynamics based on the langevin equation. The detailed progress can be found here: progress.pdf.
- Implement and test Langevin Equation using velocity verlet integration
- Langevin Dynamics for Lennard-Jones-Fluid
- Multiprocessing implementation using OpenMP
- Simulation of polymer (bead-spring-model)
- Parallel Tempering implementation
- Replica exchange self guided Langevin dynamics
The final thesis is available here: bachelorthesis.pdf