Computersimulation in der Materialphysik WS 2023/24

Wintersemester 2022/23
Vorlesung: Do. 14:15 bis 15:45
Übung: Di 14:15 – 15:45,
Univ.-Professor Dr. rer. nat. Martin Müser
Gebäude C6 3 – Seminarraum 2.10
Course language: English (if desired), German otherwise

If you want to take part in the course, please become a member of its MS-Teams-Team. You can find the link and the code in the LSF.

The course will start on Oct. 26 with the lecture.

Course content:

  • Monte Carlo simulation, basic principles
  • Molecular dynamics, basic principles
  • Solution of stochastic differential equations (Langevin dynamics)
  • Focus projects that will depend on the interests of the participants (examples are modelling thermal creep of dislocations, modelling adhesion between elastomers and rough surfaces, design of interaction potentials, usage of LAMMPS, etc.)


  • Physics: Newton’s equations of motion and thermodynamics
  • Maths: Fourier transform and ordinary differential equations
  • Computers: Basic knowledge of any programming language (Basic, C, C++, Java, MATLAB, Python, whatever)

Further comments:

The main emphasis of this course is to teach you how to write your own code and less to inform you how to use programs written by others. We will support C++ and Python. Any given assignment can be solved using very few C++ or Python commands, which can be quickly learned if the participant has had some exposure to programming in the past. Advanced programming techniques (such as MPI or object-oriented programming) will only become part of the course if desired by all participants.

Furthermore, we will use a Linux cluster during our tutorial hours (Übung). Tutorials on Linux, C++ and Python will be given in the beginning of the course if needed (which we assume to be the case).